Explicitly correlated plane waves: Accelerating convergence in periodic wavefunction expansions

Article Chemistry, Physical

Quantum Monte Carlo simulation of carbon monoxide reactivity when adsorbed at metal and oxide catalyst surfaces: Trial wave-functions with exponential type basis and quasi-exact three-body correlation

Philip E. Hoggan

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2013)

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Correction Chemistry, Physical

DFT in a nutshell (vol 113, pg 96, 2013)

Kieron Burke et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2013)

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Article Chemistry, Physical

Uniform electron gases. I. Electrons on a ring

Pierre-Francois Loos et al.

JOURNAL OF CHEMICAL PHYSICS (2013)

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Review Chemistry, Physical

Multireference explicitly correlated F12 theories

Toru Shiozaki et al.

MOLECULAR PHYSICS (2013)

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Article Multidisciplinary Sciences

Towards an exact description of electronic wavefunctions in real solids

George H. Booth et al.

NATURE (2013)

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Article Physics, Multidisciplinary

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

James J. Shepherd et al.

PHYSICAL REVIEW LETTERS (2013)

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Article Chemistry, Physical

Bridging the gap between quantum Monte Carlo and F12-methods

Sambasiva Rao Chinnamsetty et al.

CHEMICAL PHYSICS (2012)

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Article Chemistry, Physical

A universal explicit electron correlation correction applied to Mukherjee's multi-reference perturbation theory

Robin Haunschild et al.

CHEMICAL PHYSICS LETTERS (2012)

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Review Chemistry, Multidisciplinary

Explicitly Correlated R12/F12 Methods for Electronic Structure

Liguo Kong et al.

CHEMICAL REVIEWS (2012)

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Review Chemistry, Multidisciplinary

Explicitly Correlated Electrons in Molecules

Christof Haettig et al.

CHEMICAL REVIEWS (2012)

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Review Chemistry, Multidisciplinary

Challenges for Density Functional Theory

Aron J. Cohen et al.

CHEMICAL REVIEWS (2012)

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Article Chemistry, Physical

The embedded many-body expansion for energetics of molecular crystals

P. J. Bygrave et al.

JOURNAL OF CHEMICAL PHYSICS (2012)

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Article Chemistry, Physical

An explicitly correlated approach to basis set incompleteness in full configuration interaction quantum Monte Carlo

George H. Booth et al.

JOURNAL OF CHEMICAL PHYSICS (2012)

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Article Chemistry, Physical

Approaching the bulk limit with finite cluster calculations using local increments: The case of LiH

Hermann Stoll et al.

JOURNAL OF CHEMICAL PHYSICS (2012)

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Article Chemistry, Physical

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

James J. Shepherd et al.

JOURNAL OF CHEMICAL PHYSICS (2012)

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Article Chemistry, Physical

Taming the First-Row Diatomics: A Full Configuration Interaction Quantum Monte Carlo Study

Deidre Cleland et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)

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Article Chemistry, Physical

Second-Order Moller-Plesset Perturbation Theory in the Condensed Phase: An Efficient and Massively Parallel Gaussian and Plane Waves Approach

Mauro Del Ben et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)

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Article Chemistry, Physical

Wavefunction-based electron correlation methods for solids

Carsten Mueller et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)

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Article Materials Science, Multidisciplinary

Full configuration interaction perspective on the homogeneous electron gas

James J. Shepherd et al.

PHYSICAL REVIEW B (2012)

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Article Materials Science, Multidisciplinary

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

James J. Shepherd et al.

PHYSICAL REVIEW B (2012)

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Article Chemistry, Physical

Uniform electron gases

Peter M. W. Gill et al.

THEORETICAL CHEMISTRY ACCOUNTS (2012)

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Article Chemistry, Physical

Explicitly correlated wave functions: summary and perspective

Seiichiro Ten-no

THEORETICAL CHEMISTRY ACCOUNTS (2012)

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Article Chemistry, Multidisciplinary

Explicitly correlated electronic structure theory from R12/F12 ansatze

Seiichiro Ten-no et al.

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)

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Article Chemistry, Physical

Multireference F12 coupled cluster theory: The Brillouin-Wigner approach with single and double excitations

Stanislav Kedzuch et al.

CHEMICAL PHYSICS LETTERS (2011)

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Article Chemistry, Physical