Regularized orbital-optimized second-order perturbation theory

Correlated one-body potential from second-order Møller-Plesset perturbation theory: Alternative to orbital-optimized MP2 method

(2013) Tran Nguyen Lan et al.   JOURNAL OF CHEMICAL PHYSICS

Analytic energy gradients for the orbital-optimized second-order Møller–Plesset perturbation theory

(2013) Uğur Bozkaya et al.   JOURNAL OF CHEMICAL PHYSICS

Orbital optimized double-hybrid density functionals

(2013) Roberto Peverati et al.   JOURNAL OF CHEMICAL PHYSICS

Assessment of Orbital-Optimized Third-Order Møller–Plesset Perturbation Theory and Its Spin-Component and Spin-Opposite Scaled Variants for Thermochemistry and Kinetics

(2013) Emine Soydaş et al.   Journal of Chemical Theory and Computation

Optimised Thouless expansion second-order Møller–Plesset theory

(2013) Ján Šimunek et al.   MOLECULAR PHYSICS

The Møller–Plesset perturbation revisited: origin of high-order divergences

(2013) Jean-Paul Malrieu et al.   MOLECULAR PHYSICS

Attenuated second-order Møller–Plesset perturbation theory: performance within the aug-cc-pVTZ basis

(2013) Matthew Goldey et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Seeking for reliable double-hybrid density functionals without fitting parameters: The PBE0-2 functional

(2012) Jeng-Da Chai et al.   CHEMICAL PHYSICS LETTERS

When does the non-variational nature of second-order Møller-Plesset energies manifest itself? All-electron correlation energies for open-shell atoms from K to Br

(2012) Shane P. McCarthy et al.   JOURNAL OF CHEMICAL PHYSICS

Exploring the competition between localization and delocalization of the neutral soliton defect in polyenyl chains with the orbital optimized second order opposite spin method

(2012) Westin Kurlancheek et al.   JOURNAL OF CHEMICAL PHYSICS

Attenuating Away the Errors in Inter- and Intramolecular Interactions from Second-Order Møller–Plesset Calculations in the Small Aug-cc-pVDZ Basis Set

(2012) Matthew Goldey et al.   Journal of Physical Chemistry Letters

Double-hybrid density-functional theory made rigorous

(2011) Kamal Sharkas et al.   JOURNAL OF CHEMICAL PHYSICS

Accurate all-electron correlation energies for the closed-shell atoms from Ar to Rn and their relationship to the corresponding MP2 correlation energies

(2011) Shane P. McCarthy et al.   JOURNAL OF CHEMICAL PHYSICS

On the nature of electron correlation in C60

(2011) David Stück et al.   JOURNAL OF CHEMICAL PHYSICS

Extended multi-configuration quasi-degenerate perturbation theory: The new approach to multi-state multi-reference perturbation theory

(2011) Alexander A. Granovsky   JOURNAL OF CHEMICAL PHYSICS

Quadratically convergent algorithm for orbital optimization in the orbital-optimized coupled-cluster doubles method and in orbital-optimized second-order Møller-Plesset perturbation theory

(2011) Uğur Bozkaya et al.   JOURNAL OF CHEMICAL PHYSICS

Obtaining Good Performance With Triple-ζ-Type Basis Sets in Double-Hybrid Density Functional Theory Procedures

(2011) Bun Chan et al.   Journal of Chemical Theory and Computation

M11-L: A Local Density Functional That Provides Improved Accuracy for Electronic Structure Calculations in Chemistry and Physics

(2011) Roberto Peverati et al.   Journal of Physical Chemistry Letters

A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions

(2011) Lars Goerigk et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

DSD-BLYP: A General Purpose Double Hybrid Density Functional Including Spin Component Scaling and Dispersion Correction

(2010) Sebastian Kozuch et al.   Journal of Physical Chemistry C

Assessment of Orbital-Optimized, Spin-Component Scaled Second-Order Many-Body Perturbation Theory for Thermochemistry and Kinetics

(2009) Frank Neese et al.   Journal of Chemical Theory and Computation

Violations of N-representability from spin-unrestricted orbitals in Møller–Plesset perturbation theory and related double-hybrid density functional theory

(2009) Westin Kurlancheek et al.   MOLECULAR PHYSICS

Developing the random phase approximation into a practical post-Kohn–Sham correlation model

(2008) Filipp Furche   JOURNAL OF CHEMICAL PHYSICS

Penalty functions for combining coupled-cluster and perturbation amplitudes in local correlation methods with optimized orbitals

(2008) Keith V. Lawler et al.   MOLECULAR PHYSICS