Novel orthogonalization and biorthogonalization algorithms

Perspectives of APSG-based multireference perturbation theories

(2014) Péter Jeszenszki et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Local spin from strongly orthogonal geminal wavefunctions

(2014) Péter Jeszenszki 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

Unitary perturbation theory applied to multiconfigurational reference functions

(2012) Péter R. Nagy et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Mayer’s orthogonalization: relation to the Gram-Schmidt and Löwdin’s symmetrical scheme

(2012) Péter R. Nagy et al.   THEORETICAL CHEMISTRY ACCOUNTS

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

Strongly orthogonal geminals: size-extensive and variational reference states

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

Generalized Møller−Plesset Partitioning in Multiconfiguration Perturbation Theory

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

Tractable spin-pure methods for bond breaking: Local many-electron spin-vector sets and an approximate valence bond model

(2009) David W. Small et al.   JOURNAL OF CHEMICAL PHYSICS