Møller-Plesset perturbation theory: from small molecule methods to methods for thousands of atoms

Acceleration of fragment molecular orbital calculations with Cholesky decomposition approach

(2010) Yoshio Okiyama et al.   CHEMICAL PHYSICS LETTERS

Theoretical models incorporating electron correlation

(2010) John A. Pople et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

A Linear-Scaling MP2 Method for Large Molecules by Rigorous Integral-Screening Criteria

(2010) Bernd Doser et al.   ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS

Fragment molecular orbital calculation using the RI-MP2 method

(2009) Takeshi Ishikawa et al.   CHEMICAL PHYSICS LETTERS

Scaled MP3 Non-Covalent Interaction Energies Agree Closely with Accurate CCSD(T) Benchmark Data

(2009) Michal Pitoňák et al.   CHEMPHYSCHEM

Dual-level hierarchical scheme for linear-scaling divide-and-conquer correlation theory

(2009) Masato Kobayashi et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

How many-body perturbation theory (MBPT) has changed quantum chemistry

(2009) Werner Kutzelnigg   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Efficient parallel algorithm of second-order Møller-Plesset perturbation theory with resolution-of-identity approximation (RI-MP2)

(2009) Michio Katouda et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Convergence of the CCSD(T) Correction Term for the Stacked Complex Methyl Adenine−Methyl Thymine: Comparison with Lower-Cost Alternatives

(2009) M. Pitoňák et al.   Journal of Chemical Theory and Computation

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

Accurate Intermolecular Interaction Energies from a Combination of MP2 and TDDFT Response Theory

(2009) Michal Pitoňák 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

An application of fragment interaction analysis based on local MP2

(2008) Takeshi Ishikawa et al.   CHEMICAL PHYSICS LETTERS

Large scale FMO-MP2 calculations on a massively parallel-vector computer

(2008) Yuji Mochizuki et al.   CHEMICAL PHYSICS LETTERS

Does Møller-Plesset perturbation theory converge? A look at two-electron systems

(2008) Mark S. Herman et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Analytic derivatives for the Cholesky representation of the two-electron integrals

(2008) Francesco Aquilante et al.   JOURNAL OF CHEMICAL PHYSICS

Resolution of the identity atomic orbital Laplace transformed second order Møller–Plesset theory for nonconducting periodic systems

(2008) Artur F. Izmaylov et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS