Comments on the quantum Monte Carlo method and the density matrix theory (original) (raw)

Review of quantum Monte Carlo methods and their applications

Paulo Acioli

Journal of Molecular Structure: THEOCHEM, 1997

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The Valence-Bond Quantum Monte Carlo Method

Dominik Domin

Elsevier eBooks, 2022

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Electronic structure quantum Monte Carlo

Michal Bajdich

Acta Physica Slovaca. Reviews and Tutorials, 2000

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Approaching chemical accuracy with quantum Monte Carlo

Cyrus Umrigar

The Journal of Chemical Physics, 2012

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Energy density matrix formalism for interacting quantum systems: Quantum Monte Carlo study

Jeongnim Kim

Physical Review B, 2014

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Koopmans' approximation applied in atoms and diatomic molecules using the diffusion quantum Monte Carlo method

Lívia Streit, Wagner Angelotti, Rogério Custodio

International Journal of Quantum Chemistry, 2008

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Quantum Monte Carlo studies of density functional theory

Maziar Nekovee

Mathematics and Computers in Simulation, 2003

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Kohn-Sham orbitals and potentials from quantum Monte Carlo molecular densities

Daniele Varsano, Matteo Barborini

The Journal of Chemical Physics, 2014

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Efficient method for the quantum Monte Carlo evaluation of the static density response function of a many-electron system

Rene Gaudoin

Physical Review B, 2010

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Quantum Monte Carlo with reoptimized perturbatively selected conguration-inte raction wave functions

Roland Assaraf

2016

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Multi-Jastrow trial wavefunctions for electronic structure calculations with quantum Monte Carlo

Michel Caffarel

2010

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Applications of the Variational Quantum Monte Carlo Method to the Two-Electron Atoms

Salah Doma

International Journal of High Energy Physics, 2019

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Quantum Monte Carlo with Jastrow-valence-bond wave functions

Michel Caffarel

The Journal of Chemical Physics, 2011

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Molecular Electrical Properties from Quantum Monte Carlo Calculations: Application to Ethyne

Matteo Barborini

Journal of Chemical Theory and Computation, 2012

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Quantum Monte Carlo with reoptimised perturbatively selected configuration-interaction wave functions

Roland Assaraf

Molecular Physics, 2016

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QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo

Brenda Rubenstein

The Journal of Chemical Physics, 2020

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Static and dynamical correlation in diradical molecules by Quantum Monte Carlo using the Jastrow Antisymmetrized Geminal Power ansatz

Y. Luo, Sandro Sorella

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Quantum Monte Carlo modeling of the spherically averaged structure factor of a many-electron system

Rene Gaudoin

Physical Review B, 2007

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Quantum Monte Carlo studies of covalent and metallic clusters: Accuracy of density functional approximations

Ching-Ming Wei

Physical Review B, 2009

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Quantum Monte Carlo modelling of the spherically averaged structure factor of a many-electron system

Rene Gaudoin

2006

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New Applications of Quantum Monte Carlo

Nicholas Hine

2007

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Quantification of electron correlation for approximate quantum calculations

Shunyue Yuan

2022

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Multiconfiguration wave functions for quantum Monte Carlo calculations of first-row diatomic molecules

Cyrus Umrigar

The Journal of Chemical Physics, 1996

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A study of electron affinities using the initiator approach to full configuration interaction quantum Monte Carlo

Deidre M Cleland

2011

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Density matrices in full configuration interaction quantum Monte Carlo: Excited states, transition dipole moments, and parallel distribution

Ali Alavi

The Journal of Chemical Physics, 2017

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Molecular Properties by Quantum Monte Carlo: An Investigation on the Role of the Wave Function Ansatz and the Basis Set in the Water Molecule

Y. Luo, Sandro Sorella

Journal of Chemical Theory and Computation, 2013

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Generalized valence bond wave functions in quantum Monte Carlo

William Goddard

The Journal of Chemical Physics, 2010

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Correlation function quantum Monte Carlo studies of rovibrational excited states in molecules

Paulo Acioli, Frederico Prudente

Journal of Physics B: Atomic, Molecular and Optical Physics, 2000

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Variational Monte Carlo calculation of two body properties in atoms: Importance sampling considerations

Antonio Sarsa

Computer Physics Communications, 1999

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Atomic Properties of the Two-Electron System using Variational Monte Carlo Technique

Salah Doma

Acta Physica Polonica A, 2012

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Quantum Monte Carlo calculations of molecular electron affinities: First-row hydrides

Dario Bressanini

The Journal of Chemical Physics, 1999

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Introduction to the Variational and Diffusion Monte Carlo Methods

Roland Assaraf

Advances in Quantum Chemistry, 2016

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A new scheme for fixed node diffusion quantum Monte Carlo with pseudopotentials: Improving reproducibility and reducing the trial-wave-function bias

Andrea Zen

The Journal of Chemical Physics, 2019

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Quantum Monte Carlo simulations of solids

Gunaretnam Rajagopal

Reviews of Modern Physics, 2001

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Strong electronic correlation in the hydrogen chain: A variational Monte Carlo study

Sandro Sorella

Physical Review B, 2011

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