2. Literature

pulay1980

Convergence acceleration of iterative sequences. the case of scf iteration Pulay, Peter; Chem. Phys. Lett. 73, 393–398 (1980) ; http://dx.doi.org/10.1016/0009-2614(80)80396-4

pipek1989

A fast intrinsic localization procedure applicable for abinitio and semiempirical linear combination of atomic orbital wave functions Pipek, J{‘a}nos; Mezey, Paul G.; J. Chem. Phys. 90, 4916-4926 (1989) ; http://dx.doi.org/10.1063/1.456588

jeziorski1994

Perturbation theory approach to intermolecular potential energy surfaces of van der Waals complexes Jeziorski, Bogumil; Moszynski, Robert; Szalewicz, Krzysztof; Chem. Rev. 94, 1887–1930 (1994)

rabuck1999

{Improving self-consistent field convergence by varying occupation numbers} Rabuck, Angela D.; Scuseria, Gustavo E.; J. Chem. Phys. 110, 695 (1999) ; http://dx.doi.org/10.1063/1.478177

kudin2002

A black-box self-consistent field convergence algorithm: One step closer Kudin, Konstantin N.; Scuseria, Gustavo E.; Canc`{e}s, Eric; J. Chem. Phys. 116, 8255–8261 (2002) ; http://dx.doi.org/10.1063/1.1470195

limacher2013

A New Mean-Field Method Suitable For Strongly Correlated Electrons: Computationally Facile Antisymmetric Products Of Nonorthogonal Geminals Limacher, Peter A; Ayers, Paul W.; Johnson, Paul A; De Baerdemacker, Stijn; Van Neck, Dimitri; Bultinck, Patrick; J. Chem. Theory Comput. 9, 1394–1401 (2013) ; http://pubs.acs.org/doi/abs/10.1021/ct300902c

boguslawski2014a

Efficient description of strongly correlated electrons with mean-field cost Boguslawski, K.; Tecmer, P.; Ayers, P. W.; Bultinck, Patrick; {De Baerdemacker}, Stijn; {Van Neck}, Dimitri; Phys. Rev. B 89, 201106(R) (2014) ; http://journals.aps.org/prb/abstract/10.1103/PhysRevB.89.201106

boguslawski2014b

Non-Variational Orbital Optimization Techniques for the AP1roG Wave Function Boguslawski, Katharina; Tecmer, Pawel; Ayers, Paul W; Bultinck, Patrick; {De Baerdemacker}, Stijn; {Van Neck}, Dimitri; J. Chem. Theory Comput. 10, 4873–4882 (2014) ; http://dx.doi.org/10.1021/ct500759q

limacher2014

Simple And Inexpensive Perturbative Correction Schemes For Antisymmetric Products Of Nonorthogonal Geminals P. Limacher; P. Ayers; P. Johnson; S. {De Baerdemacker}; D. {Van Neck}; P. Bultinck; Phys. Chem. Chem. Phys 16, 5061–5065 (2014) ; http://pubs.rsc.org/en/content/articlehtml/2014/cp/c3cp53301h

boguslawski2015a

Orbital entanglement in quantum chemistry Boguslawski, Katharina; Tecmer, Pawel; Int. J. Quantum Chem. 115, 1289–1295 (2015) ; http://dx.doi.org/10.1002/qua.24832

boguslawski2015b

Linearized coupled cluster correction on the antisymmetric product of 1-reference orbital geminals Katharina Boguslawski; Paul W. Ayers; J. Chem. Theory Comput. 11, 5252–5261 (2015) ; http://dx.doi.org/10.1021/acs.jctc.5b00776

boguslawski2016a

Targeting excited states in all-trans polyenes with electron-pair states Boguslawski, Katharina; J. Chem. Phys. 145, 234105 (2016) ; http://dx.doi.org/10.1063/1.4972053

boguslawski2016b

Analysis of two-orbital correlations in wavefunctions restricted to electron-pair states Katharina Boguslawski; Pawel Tecmer; {“O}rs Legeza; Phys. Rev. B 94, 155126 (2016) ; http://dx.doi.org/10.1103/PhysRevB.94.155126

boguslawski2017a

Benchmark of dynamic electron correlation models for seniority-zero wavefunctions and their application to thermochemistry Boguslawski, Katharina; Tecmer, Pawel; J. Chem. Theory Comput. 13, 5966–5983 (2017) ; http://dx.doi.org/10.1021/acs.jctc.6b01134

boguslawski2017b

Erratum: Orbital entanglement in quantum chemistry Boguslawski, Katharina; Tecmer, Pawel; Int. J. Quantum Chem. , e25455 (2017) ; http://dx.doi.org/10.1002/qua.25455

boguslawski2017c

Erratum: “{T}argeting excited states in all-trans polyenes with electron-pair states” Boguslawski, Katharina; J. Chem. Phys. 147, 139901 (2017) ; http://dx.doi.org/10.1063/1.5006124

valeev2019

A library for the evaluation of molecular integrals of many-body operators over Gaussian functions E. F. Valeev; (2019) ; http://libint.valeyev.net/

patkowski2020

Recent developments in symmetry-adapted perturbation theory Patkowski, Konrad; WIREs Comput. Mol. Sci. 10, e1452 (2020)