A Critical Assessment of Coupled Cluster Method in Quantum Chemistry
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book
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January 1999 |
Communication: Projected Hartree Fock theory as a polynomial similarity transformation theory of single excitations
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journal
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September 2016 |
A note on the Zassenhaus product formula
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text
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January 2006 |
Fermionic Quantum Computation
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journal
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May 2002 |
Recursive intermediate factorization and complete computational linearization of the coupled-cluster single, double, triple, and quadruple excitation equations
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journal
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January 1991 |
Polynomial similarity transformation theory: A smooth interpolation between coupled cluster doubles and projected BCS applied to the reduced BCS Hamiltonian
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journal
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March 2016 |
Analytic connection between configuration–interaction and coupled‐cluster solutions
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journal
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May 1978 |
A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples
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journal
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February 1982 |
Generalized Unitary Coupled Cluster Wave functions for Quantum Computation
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journal
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November 2018 |
On the Relationship Between Continuous- and Discrete-Time Quantum Walk
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journal
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October 2009 |
Adaptive Configuration Interaction for Computing Challenging Electronic Excited States with Tunable Accuracy
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journal
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October 2017 |
On the connectivity criteria in the open-shell coupled-cluster theory for general model spaces
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journal
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July 1987 |
Improved Techniques for Preparing Eigenstates of Fermionic Hamiltonians
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text
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January 2017 |
Introduction of n -electron valence states for multireference perturbation theory
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journal
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June 2001 |
Optimum phase-shift estimation and the quantum description of the phase difference
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journal
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November 1996 |
Encoding Electronic Spectra in Quantum Circuits with Linear T Complexity
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journal
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October 2018 |
Effective and intermediate Hamiltonians obtained by similarity transformations
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journal
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June 1995 |
Second‐order perturbation theory with a complete active space self‐consistent field reference function
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journal
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January 1992 |
Renormalization Group Approach to Interacting Fermions
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text
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January 1993 |
N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant
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journal
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December 2001 |
Application of Hilbert-space coupled-cluster theory to simple ( H 2 ) 2 model systems: Planar models
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journal
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April 1993 |
Towards an exact description of electronic wavefunctions in real solids
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journal
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December 2012 |
The Bravyi-Kitaev transformation for quantum computation of electronic structure
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journal
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December 2012 |
Converging High-Level Coupled-Cluster Energetics by Monte Carlo Sampling and Moment Expansions
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journal
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November 2017 |
Relativistic unitary coupled cluster theory and applications
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preprint
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January 2005 |
Multireference Møller—Plesset perturbation theory for high-spin open-shell systems
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journal
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August 1992 |
Robust calibration of a universal single-qubit gate set via robust phase estimation
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journal
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December 2015 |
Improved techniques for preparing eigenstates of fermionic Hamiltonians
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journal
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May 2018 |
Optimizing the density-matrix renormalization group method using quantum information entropy
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journal
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November 2003 |
The active-space equation-of-motion coupled-cluster methods for excited electronic states: Full EOMCCSDt
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journal
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July 2001 |
A new method for excited states: Similarity transformed equation-of-motion coupled-cluster theory
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journal
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April 1997 |
Correlation Problems in Atomic and Molecular Systems. IV. Extended Coupled-Pair Many-Electron Theory and Its Application to the B H 3 Molecule
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journal
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January 1972 |
Seniority-based coupled cluster theory
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text
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January 2014 |
Comparison of low-order multireference many-body perturbation theories
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journal
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April 2005 |
Seniority number description of potential energy surfaces: Symmetric dissociation of water, N 2 , C 2 , and Be 2
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journal
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September 2015 |
Coupled cluster calculations of ground and excited states of nuclei
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text
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January 2003 |
Relativistic unitary coupled cluster theory and applications
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journal
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March 2008 |
Coupled-cluster method tailored by configuration interaction
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journal
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August 2005 |
A fast intrinsic localization procedure applicable for a b i n i t i o and semiempirical linear combination of atomic orbital wave functions
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journal
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May 1989 |
Alternative coupled-cluster ansätze II. The unitary coupled-cluster method
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journal
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February 1989 |
A unitary multiconfigurational coupled‐cluster method: Theory and applications
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journal
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January 1988 |
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
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journal
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September 2010 |
The full CCSDT model for molecular electronic structure
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journal
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June 1987 |
Application of Hilbert-space coupled-cluster theory to simple ( H 2 ) 2 model systems. II. Nonplanar models
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journal
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May 1994 |
Applications of multireference perturbation theory to potential energy surfaces by optimal partitioning of H : Intruder states avoidance and convergence enhancement
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journal
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September 1995 |
On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell‐Type Expansion Using Quantum‐Field Theoretical Methods
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journal
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December 1966 |
Seniority zero pair coupled cluster doubles theory
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journal
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June 2014 |
Studies in Perturbation Theory. X. Lower Bounds to Energy Eigenvalues in Perturbation-Theory Ground State
|
journal
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July 1965 |
Seniority-based coupled cluster theory
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journal
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December 2014 |
Efficient Bayesian Phase Estimation
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journal
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June 2016 |
Communications: Survival of the fittest: Accelerating convergence in full configuration-interaction quantum Monte Carlo
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journal
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January 2010 |
Coupled-cluster approaches with an approximate account of triexcitations and the optimized-inner-projection technique. II. Coupled-cluster results for cyclic-polyene model systems
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journal
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August 1990 |
Size extensivity of a general-model-space state-universal coupled-cluster method
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journal
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January 2004 |
New perspectives on unitary coupled-cluster theory
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journal
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January 2006 |
Brueckner's Theory and the Method of Superposition of Configurations
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journal
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March 1958 |
Highly accurate treatment of electron correlation in polymers: coupled-cluster and many-body perturbation theories
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journal
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September 2001 |
Chemical basis of Trotter-Suzuki errors in quantum chemistry simulation
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journal
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February 2015 |
The density-matrix renormalization group
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text
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January 2004 |
Use of a unitary wavefunction in the calculation of static electronic properties
|
journal
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January 1984 |
Communication: An adaptive configuration interaction approach for strongly correlated electrons with tunable accuracy
|
journal
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April 2016 |
Coupled-cluster method in Fock space. I. General formalism
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journal
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August 1985 |
Quantum Algorithm for Spectral Measurement with a Lower Gate Count
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journal
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July 2018 |
Time-dependent N -electron valence perturbation theory with matrix product state reference wavefunctions for large active spaces and basis sets: Applications to the chromium dimer and all-trans polyenes
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journal
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June 2017 |
Gaussian-Based Coupled-Cluster Theory for the Ground-State and Band Structure of Solids
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journal
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February 2017 |
Multireference second-order perturbation theory: How size consistent is “almost size consistent”
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journal
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January 2005 |
Ab-Initio Coupled-Cluster Study of O 16
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journal
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June 2005 |
The density-matrix renormalization group
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journal
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April 2005 |
Medium-Mass Nuclei from Chiral Nucleon-Nucleon Interactions
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journal
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August 2008 |
Active-space coupled-cluster methods
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journal
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November 2010 |
On the solution of coupled-cluster equations in the fully correlated limit of cyclic polyene model
|
journal
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January 1991 |
A note on the Zassenhaus product formula
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journal
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March 2006 |
Approximate account of the connected quadruply excited clusters in the coupled-pair many-electron theory
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journal
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November 1984 |
Efficient Quantum Algorithms for Simulating Sparse Hamiltonians
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journal
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December 2006 |
Bound states of a many-particle system
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journal
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June 1958 |
Time-dependent N-electron valence perturbation theory with matrix product state reference wavefunctions for large active spaces and basis sets: Applications to the chromium dimer and all-trans polyenes
|
text
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January 2017 |
Erratum: The full CCSDT model for molecular electronic structure [J. Chem. Phys. 8 6 , 7041 (1987)]
|
journal
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September 1988 |
Communication: Approaching exact quantum chemistry by cluster analysis of full configuration interaction quantum Monte Carlo wave functions
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journal
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October 2018 |
Short-range correlations in nuclear wave functions
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journal
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June 1960 |
A general model‐space coupled‐cluster method using a Hilbert‐space approach
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journal
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January 1990 |
Structure of Fermionic Density Matrices: Complete N -Representability Conditions
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journal
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June 2012 |
Multireference coupled‐cluster method using a single‐reference formalism
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journal
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January 1991 |
Relaxed active space: Fixing tailored-CC with high order coupled cluster. II
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journal
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February 2014 |
Coupled-cluster method with optimized reference state
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journal
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March 1984 |
Coupled-cluster method for multideterminantal reference states
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journal
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October 1981 |
Spin-restricted Brueckner orbitals for coupled-cluster wavefunctions
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journal
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December 1997 |
Coupled-cluster approach to nuclear physics
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journal
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May 2004 |
A new implementation of the full CCSDT model for molecular electronic structure
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journal
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November 1988 |
Canonical Configurational Interaction Procedure
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journal
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April 1960 |
Continuous transition between Brillouin–Wigner and Rayleigh–Schrödinger perturbation theory, generalized Bloch equation, and Hilbert space multireference coupled cluster
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journal
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June 2003 |
Error mitigation extends the computational reach of a noisy quantum processor
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journal
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March 2019 |
Intruder state avoidance multireference Møller-Plesset perturbation theory: Multireference Møller-Plesset Perturbation Theory
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journal
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May 2002 |
Computing coupled-cluster wave functions with arbitrary excitations
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journal
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July 2000 |
Density matrix formulation for quantum renormalization groups
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journal
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November 1992 |
Fermion Monte Carlo without fixed nodes: A game of life, death, and annihilation in Slater determinant space
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journal
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January 2009 |
Structure of Ni 78 from First-Principles Computations
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journal
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October 2016 |
Exponential Operators and Parameter Differentiation in Quantum Physics
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journal
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April 1967 |
Coupled Cluster Calculations of Ground and Excited States of Nuclei
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journal
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April 2004 |
Projected seniority-two orbital optimization of the antisymmetric product of one-reference orbital geminal
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journal
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June 2014 |
Nuclear Saturation and Two-Body Forces: Self-Consistent Solutions and the Effects of the Exclusion Principle
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journal
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August 1956 |
Large basis set calculations using Brueckner theory
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journal
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January 1994 |
Relaxed active space: Fixing tailored-CC with high order coupled cluster. I
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journal
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December 2012 |
The theory of variational hybrid quantum-classical algorithms
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journal
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February 2016 |
Approximate account of connected quadruply excited clusters in single-reference coupled-cluster theory via cluster analysis of the projected unrestricted Hartree-Fock wave function
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journal
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August 1996 |
Strategies for quantum computing molecular energies using the unitary coupled cluster ansatz
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journal
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October 2018 |
A method of embedding
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journal
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September 1981 |
Bravyi-Kitaev Superfast simulation of electronic structure on a quantum computer
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journal
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April 2018 |
Computation of Molecular Spectra on a Quantum Processor with an Error-Resilient Algorithm
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journal
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February 2018 |
Quantum implementation of the unitary coupled cluster for simulating molecular electronic structure
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journal
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February 2017 |
Convergence behavior of multireference perturbation theory: Forced degeneracy and optimization partitioning applied to the beryllium atom
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journal
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July 1996 |
Highly Efficient and Scalable Compound Decomposition of Two-Electron Integral Tensor and Its Application in Coupled Cluster Calculations
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journal
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August 2017 |
Benchmark studies of variational, unitary and extended coupled cluster methods
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journal
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December 2010 |
Analytic energy gradients for multiconfigurational self-consistent field second-order quasidegenerate perturbation theory (MC-QDPT)
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journal
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April 1998 |
Correlation problem in open-shell atoms and molecules: A non-perturbative linked cluster formulation
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journal
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December 1975 |
The implementation of the multireference coupled‐cluster method based on the single‐reference formalism
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journal
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March 1992 |
Tailored coupled cluster singles and doubles method applied to calculations on molecular structure and harmonic vibrational frequencies of ozone
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journal
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March 2006 |
Brueckner based generalized coupled cluster theory: Implicit inclusion of higher excitation effects
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journal
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September 2000 |
Multireference quantum chemistry through a joint density matrix renormalization group and canonical transformation theory
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journal
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January 2010 |
Alternative single-reference coupled cluster approaches for multireference problems: The simpler, the better
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journal
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June 2011 |
N -Electron Valence State Perturbation Theory Based on a Density Matrix Renormalization Group Reference Function, with Applications to the Chromium Dimer and a Trimer Model of Poly( p -Phenylenevinylene)
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journal
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March 2016 |
A variational eigenvalue solver on a photonic quantum processor
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journal
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July 2014 |
Optimal Hamiltonian Simulation by Quantum Signal Processing
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journal
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January 2017 |
Coupled-cluster theory in quantum chemistry
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journal
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February 2007 |
The active-space equation-of-motion coupled-cluster methods for excited electronic states: The EOMCCSDt approach
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journal
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November 2000 |
Progress towards practical quantum variational algorithms
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journal
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October 2015 |
Uncertainty relations and reduced density matrices: Mapping many-body quantum mechanics onto four particles
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journal
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March 2001 |
A state-specific multi-reference coupled cluster formalism with molecular applications
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journal
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May 1998 |
Low-Depth Quantum Simulation of Materials
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journal
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March 2018 |
Chemical Basis of Trotter-Suzuki Errors in Quantum Chemistry Simulation
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text
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January 2014 |
The Fock space coupled cluster method: theory and application
|
journal
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January 1991 |
On the difference between variational and unitary coupled cluster theories
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journal
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January 2018 |
Renormalization-group approach to interacting fermions
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journal
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January 1994 |
Extension of coupled-cluster theory with a non-iterative treatment of connected triply excited clusters to three-body Hamiltonians
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text
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January 2013 |
Second-order perturbation theory with a density matrix renormalization group self-consistent field reference function: Theory and application to the study of chromium dimer
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journal
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September 2011 |
Partitioning technique, perturbation theory, and rational approximations: PARTITIONING TECHNIQUE
|
journal
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January 1982 |
Electron correlation in one dimension: Coupled cluster approaches to cyclic polyene ?-electron models
|
journal
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April 1992 |
Localized Atomic and Molecular Orbitals
|
journal
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July 1963 |
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
|
journal
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January 1989 |
Extension of coupled-cluster theory with a noniterative treatment of connected triply excited clusters to three-body Hamiltonians
|
journal
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November 2013 |
Error analysis and improvements of coupled-cluster theory
|
journal
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January 1991 |
Fock-space coupled-cluster method in the intermediate Hamiltonian formulation: Model with singles and doubles
|
journal
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June 1998 |
Size-consistent single-reference methods for electronic correlation: a unified formulation through intermediate hamiltonian theory
|
journal
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January 1997 |
A Perturbative Density Matrix Renormalization Group Algorithm for Large Active Spaces
|
journal
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June 2018 |
Optimal Hamiltonian Simulation by Quantum Signal Processing
|
text
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January 2016 |
Multireference perturbation theory with optimized partitioning. I. Theoretical and computational aspects
|
journal
|
May 2003 |
Quantum algorithms revisited
- Cleve, R.; Ekert, A.; Macchiavello, C.
-
Proceedings of the Royal Society of London. Series A: Mathematical, Physical and Engineering Sciences, Vol. 454, Issue 1969
https://doi.org/10.1098/rspa.1998.0164
|
journal
|
January 1998 |
Size-consistent single-reference methods for electronic correlation: a unified formulation through intermediate hamiltonian theory
|
journal
|
April 1996 |
The Density Matrix Renormalization Group in Quantum Chemistry
|
journal
|
May 2011 |
Regularized and Renormalized Many-Body Techniques for Describing Correlated Molecular Systems: A Coupled-Cluster Perspective
|
book
|
January 2018 |
A state‐selective multireference coupled‐cluster theory employing the single‐reference formalism
|
journal
|
August 1993 |
Coupled‐cluster method truncated at quadruples
|
journal
|
November 1991 |
Second-order perturbation theory with a CASSCF reference function
|
journal
|
July 1990 |
A state-specific multi-reference coupled cluster formalism with molecular applications
|
journal
|
May 1998 |
Properties of coupled-cluster equations originating in excitation sub-algebras
|
journal
|
March 2018 |
Many‐body similarity transformations generated by normal ordered exponential excitation operators
|
journal
|
February 1996 |
Coupled-cluster singles and doubles for extended systems
|
journal
|
February 2004 |