Monte Carlo explicitly correlated second-order many-body perturbation theory

Monte Carlo MP2 on Many Graphical Processing Units

(2016) Alexander E. Doran et al.   Journal of Chemical Theory and Computation

Numerical solution of the Sinanoǧlu equation using a multicentre radial-angular grid

(2016) So Hirata et al.   MOLECULAR PHYSICS

Erratum: “Stochastic many-body perturbation theory for anharmonic molecular vibrations” [J. Chem. Phys. 141, 084105 (2014)]

(2015) Matthew R. Hermes et al.   JOURNAL OF CHEMICAL PHYSICS

Erratum: “Stochastic algorithm for size-extensive vibrational self-consistent field methods on fully anharmonic potential energy surfaces” [J. Chem. Phys. 141, 244111 (2014)]

(2015) Matthew R. Hermes et al.   JOURNAL OF CHEMICAL PHYSICS

Calculation of the molecular integrals with the range-separated correlation factor

(2015) Michał Silkowski et al.   JOURNAL OF CHEMICAL PHYSICS

Stochastic many-body perturbation theory for anharmonic molecular vibrations

(2014) Matthew R. Hermes et al.   JOURNAL OF CHEMICAL PHYSICS

Stochastic, real-space, imaginary-time evaluation of third-order Feynman–Goldstone diagrams

(2014) Soohaeng Yoo Willow et al.   JOURNAL OF CHEMICAL PHYSICS

Communication: Stochastic evaluation of explicitly correlated second-order many-body perturbation energy

(2014) Soohaeng Yoo Willow et al.   JOURNAL OF CHEMICAL PHYSICS

Stochastic algorithm for size-extensive vibrational self-consistent field methods on fully anharmonic potential energy surfaces

(2014) Matthew R. Hermes et al.   JOURNAL OF CHEMICAL PHYSICS

Brueckner-Goldstone quantum Monte Carlo for correlation energies and quasiparticle energy bands of one-dimensional solids

(2014) Soohaeng Yoo Willow et al.   PHYSICAL REVIEW B

Stochastic evaluation of second-order Dyson self-energies

(2013) Soohaeng Yoo Willow et al.   JOURNAL OF CHEMICAL PHYSICS

Explicitly correlated plane waves: Accelerating convergence in periodic wavefunction expansions

(2013) Andreas Grüneis et al.   JOURNAL OF CHEMICAL PHYSICS

Computing molecular correlation energies with guaranteed precision

(2013) Florian A. Bischoff et al.   JOURNAL OF CHEMICAL PHYSICS

Stochastic determination of effective Hamiltonian for the full configuration interaction solution of quasi-degenerate electronic states

(2013) Seiichiro Ten-no   JOURNAL OF CHEMICAL PHYSICS

Convergence Acceleration of Parallel Monte Carlo Second-Order Many-Body Perturbation Calculations Using Redundant Walkers

(2013) Soohaeng Yoo Willow et al.   Journal of Chemical Theory and Computation

Second-Order Many-Body Perturbation Theory: An Eternal Frontier

(2013) So Hirata et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Extensivity of Energy and Electronic and Vibrational Structure Methods for Crystals

(2012) So Hirata et al.   Annual Review of Physical Chemistry

Computing many-body wave functions with guaranteed precision: The first-order Møller-Plesset wave function for the ground state of helium atom

(2012) Florian A. Bischoff et al.   JOURNAL OF CHEMICAL PHYSICS

Stochastic evaluation of second-order many-body perturbation energies

(2012) Soohaeng Yoo Willow et al.   JOURNAL OF CHEMICAL PHYSICS

Investigation of the full configuration interaction quantum Monte Carlo method using homogeneous electron gas models

(2012) James J. Shepherd et al.   JOURNAL OF CHEMICAL PHYSICS

Communication: Excited states, dynamic correlation functions and spectral properties from full configuration interaction quantum Monte Carlo

(2012) George H. Booth et al.   JOURNAL OF CHEMICAL PHYSICS

Expeditious Stochastic Approach for MP2 Energies in Large Electronic Systems

(2012) Daniel Neuhauser et al.   Journal of Chemical Theory and Computation

Prediction of Reaction Barriers and Thermochemical Properties with Explicitly Correlated Coupled-Cluster Methods: A Basis Set Assessment

(2012) Jinmei Zhang et al.   Journal of Chemical Theory and Computation

Thermodynamic limit of the energy density in a crystal

(2012) So Hirata et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Semistochastic Projector Monte Carlo Method

(2012) F. R. Petruzielo et al.   PHYSICAL REVIEW LETTERS

Explicitly Correlated R12/F12 Methods for Electronic Structure

(2011) Liguo Kong et al.   CHEMICAL REVIEWS

Explicitly Correlated Electrons in Molecules

(2011) Christof Hättig et al.   CHEMICAL REVIEWS

A general formulation for the efficient evaluation of n-electron integrals over products of Gaussian charge distributions with Gaussian geminal functions

(2011) Andrew Komornicki et al.   JOURNAL OF CHEMICAL PHYSICS

Publisher's Note: “A general formulation for the efficient evaluation of n-electron integrals over products of Gaussian charge distributions with Gaussian geminal functions” [J. Chem. Phys. 134, 244115 (2011)]

(2011) Andrew Komornicki et al.   JOURNAL OF CHEMICAL PHYSICS

Applications of quantum Monte Carlo methods in condensed systems

(2011) Jindřich Kolorenč et al.   REPORTS ON PROGRESS IN PHYSICS

Explicitly correlated electronic structure theory from R12/F12 ansätze

(2011) Seiichiro Ten-no et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

(2010) M. Valiev et al.   COMPUTER PHYSICS COMMUNICATIONS

Diagrammatic Monte Carlo for correlated fermions

(2010) E. Kozik et al.   EPL

Communications: Survival of the fittest: Accelerating convergence in full configuration-interaction quantum Monte Carlo

(2010) Deidre Cleland et al.   JOURNAL OF CHEMICAL PHYSICS

Fermion Monte Carlo without fixed nodes: A game of life, death, and annihilation in Slater determinant space

(2009) George H. Booth et al.   JOURNAL OF CHEMICAL PHYSICS

Projector Monte Carlo method based on configuration state functions. Test applications to the H4 system and dissociation of LiH

(2008) Yuhki Ohtsuka et al.   CHEMICAL PHYSICS LETTERS

Variational formulation of perturbative explicitly-correlated coupled-cluster methods

(2008) Martin Torheyden et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS