Stochastic, real-space, imaginary-time evaluation of third-order Feynman–Goldstone diagrams
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journal
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January 2014 |
Communication: Stochastic evaluation of explicitly correlated second-order many-body perturbation energy
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January 2014 |
Expeditious Stochastic Calculation of Random-Phase Approximation Energies for Thousands of Electrons in Three Dimensions
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journal
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March 2013 |
Exploring the Accuracy Limits of Local Pair Natural Orbital Coupled-Cluster Theory
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journal
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March 2015 |
Projector Monte Carlo method based on Slater determinants: a new sampling method for singlet state calculations
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journal
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September 2011 |
Information guided noise reduction for Monte Carlo integration of oscillatory functions
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journal
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December 2004 |
Many – Body Methods in Chemistry and Physics
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book
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January 2009 |
Elimination of energy denominators in Møller—Plesset perturbation theory by a Laplace transform approach
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journal
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June 1991 |
GPU-Based Implementations of the Noniterative Regularized-CCSD(T) Corrections: Applications to Strongly Correlated Systems
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April 2011 |
Error estimates on averages of correlated data
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July 1989 |
High accuracy benchmark calculations on the benzene dimer potential energy surface
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October 2007 |
Fixed‐node quantum Monte Carlo for molecules a) b)
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journal
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December 1982 |
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
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journal
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January 1989 |
Grid-based diffusion Monte Carlo for fermions without the fixed-node approximation
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journal
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January 2020 |
Projector Monte Carlo method based on configuration state functions. Test applications to the H4 system and dissociation of LiH
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journal
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October 2008 |
Explicitly Correlated Electrons in Molecules
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December 2011 |
A Road Map for the Calculation of Molecular Binding Energies
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October 2000 |
R12 methods in explicitly correlated molecular electronic structure theory
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July 2006 |
Fifth‐order many‐body perturbation theory for molecular correlation energies
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journal
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June 1989 |
Comparison of MBPT and coupled cluster methods with full CI. II. Polarized basis sets
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journal
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January 1987 |
Tensor Contraction Engine: Abstraction and Automated Parallel Implementation of Configuration-Interaction, Coupled-Cluster, and Many-Body Perturbation Theories
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journal
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November 2003 |
Expeditious Stochastic Approach for MP2 Energies in Large Electronic Systems
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December 2012 |
A Guided Stochastic Energy-Domain Formulation of the Second Order Møller–Plesset Perturbation Theory
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journal
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December 2013 |
Hybrid stochastic-deterministic calculation of the second-order perturbative contribution of multireference perturbation theory
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journal
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July 2017 |
Propagators in Quantum Chemistry
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book
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March 2004 |
The calculation of higher-order energies in the many-body perturbation theory series
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journal
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January 1985 |
Perspective: Explicitly correlated electronic structure theory for complex systems
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February 2017 |
Is fifth-order MBPT enough?
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journal
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January 1985 |
Stochastic evaluation of second-order Dyson self-energies
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April 2013 |
Multireference Stochastic Coupled Cluster
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journal
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October 2019 |
Large scale parallelization in stochastic coupled cluster
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journal
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November 2018 |
General recurrence formulas for molecular integrals over Cartesian Gaussian functions
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journal
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August 1988 |
Sixth-order many-body perturbation theory. I. Basic theory and derivation of the energy formula
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journal
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January 1996 |
Sixth-order many-body perturbation theory. III. Correlation energies of size-extensive MP6 methods
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journal
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January 1996 |
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
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journal
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September 2010 |
Stochastic evaluation of second-order many-body perturbation energies
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journal
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November 2012 |
Efficient recursive computation of molecular integrals over Cartesian Gaussian functions
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journal
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April 1986 |
Convergence acceleration of Monte Carlo many-body perturbation methods by direct sampling
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journal
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September 2020 |
Equation of State Calculations by Fast Computing Machines
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journal
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June 1953 |
Investigation of the full configuration interaction quantum Monte Carlo method using homogeneous electron gas models
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journal
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June 2012 |
Convergence acceleration of Monte Carlo many-body perturbation methods by using many control variates
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journal
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September 2020 |
Extensive regularization of the coupled cluster methods based on the generating functional formalism: Application to gas-phase benchmarks and to the SN2 reaction of CHCl3 and OH− in water
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journal
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December 2009 |
Monte Carlo sampling methods using Markov chains and their applications
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journal
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April 1970 |
Convergence Acceleration of Parallel Monte Carlo Second-Order Many-Body Perturbation Calculations Using Redundant Walkers
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journal
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September 2013 |
Evaluating two-electron-repulsion integrals over arbitrary orbitals using zero variance Monte Carlo: Application to full configuration interaction calculations with Slater-type orbitals
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journal
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August 2019 |
Parallel Calculation of Coupled Cluster Singles and Doubles Wave Functions Using Array Files
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journal
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May 2007 |
Nodal hypersurfaces and Anderson’s random‐walk simulation of the Schrödinger equation
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journal
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June 1976 |
Many-Body Perturbation Theory and Coupled Cluster Theory for Electron Correlation in Molecules
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journal
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October 1981 |
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 |
Explicitly Correlated R12/F12 Methods for Electronic Structure
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journal
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December 2011 |
Monte Carlo Second- and Third-Order Many-Body Green’s Function Methods with Frequency-Dependent, Nondiagonal Self-Energy
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journal
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October 2019 |
One-particle many-body Green’s function theory: Algebraic recursive definitions, linked-diagram theorem, irreducible-diagram theorem, and general-order algorithms
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journal
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July 2017 |
Coupled cluster algorithms for networks of shared memory parallel processors
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journal
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May 2007 |
Stochastic determination of effective Hamiltonian for the full configuration interaction solution of quasi-degenerate electronic states
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journal
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April 2013 |
A random‐walk simulation of the Schrödinger equation: H + 3
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journal
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August 1975 |
Quantum Monte Carlo for Ab Initio calculations of energy-relevant materials
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journal
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August 2013 |
Introduction to the Variational and Diffusion Monte Carlo Methods
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book
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January 2016 |
Evaluation of the Heats of Formation of Corannulene and C 60 by Means of High-Level Theoretical Procedures
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journal
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January 2013 |
Comparison of MBPT and coupled-cluster methods with full CI. Importance of triplet excitation and infinite summations
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journal
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June 1983 |
Metropolis Evaluation of the Hartree–Fock Exchange Energy
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journal
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September 2014 |
Monte Carlo MP2 on Many Graphical Processing Units
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journal
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September 2016 |
Explicitly correlated electronic structure theory from R12/F12 ansätze: Explicitly correlated electronic structure theory
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journal
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May 2011 |
Sixth-order many-body perturbation theory for molecular calculations
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journal
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May 1995 |
M ONTE C ARLO M ETHODS IN E LECTRONIC S TRUCTURES FOR L ARGE S YSTEMS
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journal
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October 2000 |
Stochastic Self-Consistent Second-Order Green’s Function Method for Correlation Energies of Large Electronic Systems
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journal
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October 2017 |
Sixth-order many-body perturbation theory. IV. Improvement of the M�ller-Plesset correlation energy series by using Pad�, Feenberg, and other approximations up to sixth order
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journal
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January 1996 |
Monte Carlo explicitly correlated second-order many-body perturbation theory
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journal
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October 2016 |
A fifth-order perturbation comparison of electron correlation theories
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journal
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May 1989 |
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 |
Utilizing high performance computing for chemistry: parallel computational chemistry
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journal
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January 2010 |
One- and two-electron integrals over cartesian gaussian functions
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journal
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February 1978 |
Applications of quantum Monte Carlo methods in condensed systems
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journal
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January 2011 |
Stochastic multi-reference perturbation theory with application to the linearized coupled cluster method
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journal
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January 2017 |
Multi-state effective Hamiltonian and size-consistency corrections in stochastic configuration interactions
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journal
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December 2017 |
Linear-scaling and parallelisable algorithms for stochastic quantum chemistry
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journal
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January 2014 |
Stochastic many-body perturbation theory for electron correlation energies
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journal
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December 2019 |
Finite-Size Error in Many-Body Simulations with Long-Range Interactions
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journal
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August 2006 |
Quantum Monte Carlo and Related Approaches
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journal
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December 2011 |
Stochastic Perturbation Theory: A Low-Scaling Approach to Correlated Electronic Energies
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journal
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October 2007 |
Coupled‐cluster methods with noniterative triple excitations for restricted open‐shell Hartree–Fock and other general single determinant reference functions. Energies and analytical gradients
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journal
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June 1993 |
Quartic scaling second-order approximate coupled cluster singles and doubles via tensor hypercontraction: THC-CC2
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journal
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March 2013 |
Projector Monte Carlo method based on Slater determinants: Test application to singlet excited states of H2O and LiF
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journal
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January 2010 |
Sixth-order many-body perturbation theory. II. Implementation and application
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journal
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January 1996 |
Stochastic Resolution of Identity for Real-Time Second-Order Green’s Function: Ionization Potential and Quasi-Particle Spectrum
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journal
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October 2019 |
Monte Carlo explicitly correlated many-body Green’s function theory
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journal
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November 2018 |
Stochastic Formulation of the Resolution of Identity: Application to Second Order Møller–Plesset Perturbation Theory
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journal
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September 2017 |