Complete vs Restricted Active Space Perturbation Theory Calculation of the Cr 2 Potential Energy Surface
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April 2011 |
Continuous transition between Brillouin–Wigner and Rayleigh–Schrödinger perturbation theory, generalized Bloch equation, and Hilbert space multireference coupled cluster
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June 2003 |
Communication: A flexible multi-reference perturbation theory by minimizing the Hylleraas functional with matrix product states
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September 2014 |
Size-consistency corrections for configuration interaction calculations
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May 1988 |
Multiconfigurational perturbation theory with level shift — the Cr2 potential revisited
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October 1995 |
Consistent generalization of the Møller-Plesset partitioning to open-shell and multiconfigurational SCF reference states in many-body perturbation theory
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October 1987 |
Fully Internally Contracted Multireference Configuration Interaction Theory Using Density Matrix Renormalization Group: A Reduced-Scaling Implementation Derived by Computer-Aided Tensor Factorization
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October 2015 |
Negative ion photoelectron spectroscopy of chromium dimer
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January 1993 |
Multireference Configuration Interaction Calculations on Cr 2 : Passing the One Billion Limit in MRCI/MRACPF Calculations
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January 1999 |
A coupled-cluster approach to the many-body perturbation theory for open-shell systems
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March 1978 |
Complete set of solutions of the generalized Bloch equation
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January 2000 |
Multireference configuration interaction theory using cumulant reconstruction with internal contraction of density matrix renormalization group wave function
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July 2013 |
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
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January 1989 |
Applications of a non-perturbative many-body formalism to general open-shell atomic and molecular problems: calculation of the ground and the lowest π-π* singlet and triplet energies and the first ionization potential of trans-butadiene
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April 1977 |
Determinant based configuration interaction algorithms for complete and restricted configuration interaction spaces
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August 1988 |
N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant
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December 2001 |
Second‐order perturbation theory with a complete active space self‐consistent field reference function
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January 1992 |
Introduction of n -electron valence states for multireference perturbation theory
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June 2001 |
The use of systematic sequences of wave functions for estimating the complete basis set, full configuration interaction limit in water
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May 1993 |
Ab initio quantum chemistry using the density matrix renormalization group
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March 1999 |
An efficient internally contracted multiconfiguration–reference configuration interaction method
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November 1988 |
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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September 2011 |
Large-Scale Parallel Uncontracted Multireference-Averaged Quadratic Coupled Cluster: The Ground State of the Chromium Dimer Revisited †
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November 2009 |
The density matrix renormalization group for ab initio quantum chemistry
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September 2014 |
Laplace transform techniques in Mo/ller–Plesset perturbation theory
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January 1992 |
The Density Matrix Renormalization Group in Quantum Chemistry
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May 2011 |
The CIPT2 method: Coupling of multi-reference configuration interaction and multi-reference perturbation theory. Application to the chromium dimer
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November 2004 |
High-performance ab initio density matrix renormalization group method: Applicability to large-scale multireference problems for metal compounds
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June 2009 |
Configuration interaction calculations on the nitrogen molecule
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January 1974 |
Generalizations of the direct CI method based on the graphical unitary group approach. II. Single and double replacements from any set of reference configurations
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February 1980 |
The Cr2 potential curve: a multireference pair functional treatment
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June 1996 |
Canonical transformation theory from extended normal ordering
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September 2007 |
The Complete Active Space Self-Consistent Field Method and its Applications in Electronic Structure Calculations
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book
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January 1987 |
State-specific multireference coupled-cluster theory: State-specific multireference coupled-cluster theory
- Köhn, Andreas; Hanauer, Matthias; Mück, Leonie Anna
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Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 3, Issue 2
https://doi.org/10.1002/wcms.1120
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October 2012 |
Fermion Monte Carlo without fixed nodes: A game of life, death, and annihilation in Slater determinant space
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January 2009 |
Communication: Multireference equation of motion coupled cluster: A transform and diagonalize approach to electronic structure
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February 2014 |
A driven similarity renormalization group approach to quantum many-body problems
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August 2014 |
A state-specific partially internally contracted multireference coupled cluster approach
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June 2011 |
A study of cumulant approximations to n-electron valence multireference perturbation theory
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May 2009 |
A state-specific multi-reference coupled cluster formalism with molecular applications
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May 1998 |
Normal order and extended Wick theorem for a multiconfiguration reference wave function
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July 1997 |
Multireference Driven Similarity Renormalization Group: A Second-Order Perturbative Analysis
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April 2015 |
An orbital-invariant internally contracted multireference coupled cluster approach
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March 2011 |
CheMPS2: A free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry
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June 2014 |
Canonical transformation theory for multireference problems
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May 2006 |
A size-consistent state-specific multireference coupled cluster theory: Formal developments and molecular applications
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April 1999 |
The choice of a zeroth‐order Hamiltonian for second‐order perturbation theory with a complete active space self‐consistent‐field reference function
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March 1995 |
The electronic spectrum of Cr2
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May 1995 |
An auxiliary-field quantum Monte Carlo study of the chromium dimer
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February 2015 |
Coupling term derivation and general implementation of state-specific multireference coupled cluster theories
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July 2007 |
Third-order multireference perturbation theory: The n-electron valence state perturbation-theory approach
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February 2006 |
Communication: The description of strong correlation within self-consistent Green's function second-order perturbation theory
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June 2014 |
The Ground State Potential for the Chromium Dimer Revisited
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January 2003 |
Communication: Towards ab initio self-energy embedding theory in quantum chemistry
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December 2015 |
The restricted active space self-consistent-field method, implemented with a split graph unitary group approach
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July 1990 |
A transformed framework for dynamic correlation in multireference problems
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March 2015 |
The Cr2 potential energy curve studied with multiconfigurational second-order perturbation theory
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December 1994 |
Elimination of energy denominators in Møller—Plesset perturbation theory by a Laplace transform approach
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June 1991 |
Basis-set convergence of correlated calculations on water
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June 1997 |
Third-order multireference perturbation theory The CASPT3 method
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October 1996 |
Multireference linearized coupled cluster theory for strongly correlated systems using matrix product states
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September 2015 |