Communication: Convergence of many-body wave-function expansions using a plane-wave basis in the thermodynamic limit

Developments in stochastic coupled cluster theory: The initiator approximation and application to the uniform electron gas

(2016) James S. Spencer et al.   JOURNAL OF CHEMICAL PHYSICS

Interaction picture density matrix quantum Monte Carlo

(2015) Fionn D. Malone et al.   JOURNAL OF CHEMICAL PHYSICS

Fermionic path-integral Monte Carlo results for the uniform electron gas at finite temperature

(2015) V. S. Filinov et al.   PHYSICAL REVIEW E

Ab InitioThermodynamic Results for the Degenerate Electron Gas at Finite Temperature

(2015) T. Schoof et al.   PHYSICAL REVIEW LETTERS

Efficient Explicitly Correlated Many-Electron Perturbation Theory for Solids: Application to the Schottky Defect in MgO

(2015) Andreas Grüneis   PHYSICAL REVIEW LETTERS

Embedded Correlated Wavefunction Schemes: Theory and Applications

(2014) Florian Libisch et al.   ACCOUNTS OF CHEMICAL RESEARCH

Towards ab Initio Thermodynamics of the Electron Gas at Strong Degeneracy

(2014) T. Schoof et al.   CONTRIBUTIONS TO PLASMA PHYSICS

Coupled cluster channels in the homogeneous electron gas

(2014) James J. Shepherd et al.   JOURNAL OF CHEMICAL PHYSICS

Electron correlation in solids via density embedding theory

(2014) Ireneusz W. Bulik et al.   JOURNAL OF CHEMICAL PHYSICS

Density matrix embedding from broken symmetry lattice mean fields

(2014) Ireneusz W. Bulik et al.   PHYSICAL REVIEW B

PredictiveGWcalculations using plane waves and pseudopotentials

(2014) Jiří Klimeš et al.   PHYSICAL REVIEW B

Range-Separated Brueckner Coupled Cluster Doubles Theory

(2014) James J. Shepherd et al.   PHYSICAL REVIEW LETTERS

Efficient and accurate treatment of weak pairs in local CCSD(T) calculations

(2013) Oliver Masur et al.   JOURNAL OF CHEMICAL PHYSICS

Linear-scaling explicitly correlated treatment of solids: Periodic local MP2-F12 method

(2013) Denis Usvyat   JOURNAL OF CHEMICAL PHYSICS

Asymptotic expansion of two-electron integrals and its application to Coulomb and exchange lattice sums in metallic, semimetallic, and nonmetallic crystals

(2013) Tomonori Yamada 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

Accurate basis set truncation for wavefunction embedding

(2013) Taylor A. Barnes et al.   JOURNAL OF CHEMICAL PHYSICS

Incremental CCSD(T)(F12*)|MP2: A Black Box Method To Obtain Highly Accurate Reaction Energies

(2013) Joachim Friedrich et al.   Journal of Chemical Theory and Computation

Incrementally Corrected Periodic Local MP2 Calculations: I. The Cohesive Energy of Molecular Crystals

(2013) Carsten Müller et al.   Journal of Chemical Theory and Computation

Density Matrix Embedding: A Strong-Coupling Quantum Embedding Theory

(2013) Gerald Knizia 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

Quantum Monte Carlo with coupled-cluster wave functions

(2013) Alessandro Roggero et al.   PHYSICAL REVIEW B

Many-Body Quantum Chemistry for the Electron Gas: Convergent Perturbative Theories

(2013) James J. Shepherd et al.   PHYSICAL REVIEW LETTERS

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

Density functional theory embedding for correlated wavefunctions: Improved methods for open-shell systems and transition metal complexes

(2012) Jason D. Goodpaster et al.   JOURNAL OF CHEMICAL PHYSICS

A Simple, Exact Density-Functional-Theory Embedding Scheme

(2012) Frederick R. Manby et al.   Journal of Chemical Theory and Computation

Towards an exact description of electronic wavefunctions in real solids

(2012) George H. Booth et al.   NATURE

Thermodynamic limit of the energy density in a crystal

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

Full configuration interaction perspective on the homogeneous electron gas

(2012) James J. Shepherd et al.   PHYSICAL REVIEW B

Convergence of many-body wave-function expansions using a plane-wave basis: From homogeneous electron gas to solid state systems

(2012) James J. Shepherd et al.   PHYSICAL REVIEW B

Range-Separated Approach to the RPA Correlation Applied to the van der Waals Bond and to Diffusion of Defects

(2012) Fabien Bruneval   PHYSICAL REVIEW LETTERS

Density Matrix Embedding: A Simple Alternative to Dynamical Mean-Field Theory

(2012) Gerald Knizia et al.   PHYSICAL REVIEW LETTERS

Explicitly Correlated Electrons in Molecules

(2011) Christof Hättig et al.   CHEMICAL REVIEWS

Approaching the theoretical limit in periodic local MP2 calculations with atomic-orbital basis sets: The case of LiH

(2011) Denis Usvyat et al.   JOURNAL OF CHEMICAL PHYSICS

Hybrid coupled-cluster and perturbation method for extended systems of one-dimensional periodicity

(2011) Yu-ya Ohnishi et al.   JOURNAL OF CHEMICAL PHYSICS

Natural Orbitals for Wave Function Based Correlated Calculations Using a Plane Wave Basis Set

(2011) Andreas Grüneis et al.   Journal of Chemical Theory and Computation

Second-order Møller–Plesset perturbation theory applied to extended systems. II. Structural and energetic properties

(2010) Andreas Grüneis et al.   JOURNAL OF CHEMICAL PHYSICS

Logarithm second-order many-body perturbation method for extended systems

(2010) Yu-ya Ohnishi et al.   JOURNAL OF CHEMICAL PHYSICS

Exact nonadditive kinetic potentials for embedded density functional theory

(2010) Jason D. Goodpaster et al.   JOURNAL OF CHEMICAL PHYSICS

Bridging quantum chemistry and solid-state physics

(2010) So Hirata   MOLECULAR PHYSICS

Fast coupled-cluster singles and doubles for extended systems: Application to the anharmonic vibrational frequencies of polyethylene in theΓapproximation

(2010) Murat Keçeli et al.   PHYSICAL REVIEW B

On the Brillouin-zone integrations in second-order many-body perturbation calculations for extended systems of one-dimensional periodicity

(2009) Tomomi Shimazaki et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Second-order Mo̸ller–Plesset perturbation theory applied to extended systems. I. Within the projector-augmented-wave formalism using a plane wave basis set

(2009) M. Marsman et al.   JOURNAL OF CHEMICAL PHYSICS

Calculation of properties of crystalline lithium hydride using correlated wave function theory

(2009) S. J. Nolan et al.   PHYSICAL REVIEW B

Fast second-order many-body perturbation method for extended systems

(2009) So Hirata et al.   PHYSICAL REVIEW B

Adiabatic-Connection Fluctuation-Dissipation Density-Functional Theory Based on Range Separation

(2009) Julien Toulouse et al.   PHYSICAL REVIEW LETTERS

Periodic local MP2 method for the study of electronic correlation in crystals: Theory and preliminary applications

(2008) Cesare Pisani et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Efficient calculation of the exact exchange energy in periodic systems using a truncated Coulomb potential

(2008) James Spencer et al.   PHYSICAL REVIEW B

Finite-size errors in continuum quantum Monte Carlo calculations

(2008) N. D. Drummond et al.   PHYSICAL REVIEW B

Finite-Size Correction in Many-Body Electronic Structure Calculations

(2008) Hendra Kwee et al.   PHYSICAL REVIEW LETTERS