Projected seniority-two orbital optimization of the antisymmetric product of one-reference orbital geminal

CheMPS2: A free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry

(2014) Sebastian Wouters et al.   COMPUTER PHYSICS COMMUNICATIONS

Seniority zero pair coupled cluster doubles theory

(2014) Tamar Stein et al.   JOURNAL OF CHEMICAL PHYSICS

The influence of orbital rotation on the energy of closed-shell wavefunctions

(2014) Peter A. Limacher et al.   MOLECULAR PHYSICS

Simple and inexpensive perturbative correction schemes for antisymmetric products of nonorthogonal geminals

(2014) Peter A. Limacher et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Quantum entanglement in carbon–carbon, carbon–phosphorus and silicon–silicon bonds

(2014) Matthieu Mottet et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Efficient description of strongly correlated electrons with mean-field cost

(2014) Katharina Boguslawski et al.   PHYSICAL REVIEW B

Quasiparticle coupled cluster theory for pairing interactions

(2014) Thomas M. Henderson et al.   PHYSICAL REVIEW C

Are natural orbitals useful for generating an efficient expansion of the wave function?

(2013) K.J.H. Giesbertz   CHEMICAL PHYSICS LETTERS

Seniority number in spin-adapted spaces and compactness of configuration interaction wave functions

(2013) Diego R. Alcoba et al.   JOURNAL OF CHEMICAL PHYSICS

On Pair Functions for Strong Correlations

(2013) Jason K. Ellis et al.   Journal of Chemical Theory and Computation

A New Mean-Field Method Suitable for Strongly Correlated Electrons: Computationally Facile Antisymmetric Products of Nonorthogonal Geminals

(2013) Peter A. Limacher et al.   Journal of Chemical Theory and Computation

Entanglement Measures for Single- and Multireference Correlation Effects

(2012) Katharina Boguslawski et al.   Journal of Physical Chemistry Letters

A size-consistent approach to strongly correlated systems using a generalized antisymmetrized product of nonorthogonal geminals

(2012) Paul A. Johnson et al.   Computational and Theoretical Chemistry

Separation of strong (bond-breaking) from weak (dynamical) correlation

(2011) Werner Kutzelnigg   CHEMICAL PHYSICS

Alternative single-reference coupled cluster approaches for multireference problems: The simpler, the better

(2011) Francesco A. Evangelista   JOURNAL OF CHEMICAL PHYSICS

Projected quasiparticle theory for molecular electronic structure

(2011) Gustavo E. Scuseria et al.   JOURNAL OF CHEMICAL PHYSICS

Seniority and orbital symmetry as tools for establishing a full configuration interaction hierarchy

(2011) Laimutis Bytautas et al.   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

Strongly orthogonal geminals: size-extensive and variational reference states

(2011) Péter R. Surján et al.   JOURNAL OF MATHEMATICAL CHEMISTRY

Strong electronic correlation in the hydrogen chain: A variational Monte Carlo study

(2011) Lorenzo Stella et al.   PHYSICAL REVIEW B

Dynamical Mean-Field Theory for Quantum Chemistry

(2011) Nan Lin et al.   PHYSICAL REVIEW LETTERS

Generalized Møller−Plesset Partitioning in Multiconfiguration Perturbation Theory

(2010) Masato Kobayashi et al.   Journal of Chemical Theory and Computation

Accurate ab initio potential energy curves for the classic Li–F ionic-covalent interaction by extrapolation to the complete basis set limit and modeling of the radial nonadiabatic coupling

(2009) A. J. C. Varandas   JOURNAL OF CHEMICAL PHYSICS

Constrained-pairing mean-field theory. II. Exact treatment of dissociations to nondegenerate orbitals

(2009) Gustavo E. Scuseria et al.   JOURNAL OF CHEMICAL PHYSICS

Strong correlations via constrained-pairing mean-field theory

(2009) Takashi Tsuchimochi et al.   JOURNAL OF CHEMICAL PHYSICS