2. Literature

pulay1980

Convergence acceleration of iterative sequences. The case of scf iteration. Pulay, P., 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.; Mezey, P. 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, B.; Moszynski, R.; Szalewicz, K., Chem. Rev. 94, 1887–1930 (1994), http://dx.doi.org/10.1021/cr00031a008

rabuck1999

Improving self-consistent field convergence by varying occupation numbers. Rabuck, A. D.; Scuseria, G. E., J. Chem. Phys. 110, 695–700 (1999), http://dx.doi.org/10.1063/1.478177

kudin2002

A black-box self-consistent field convergence algorithm: One step closer. Kudin, K. N.; Scuseria, G. E.; Cancès, E., J. Chem. Phys. 116, 8255–8261 (2002), http://dx.doi.org/10.1063/1.1470195

aquilante2011

Cholesky decomposition techniques in electronic structure theory. Aquilante, F.; Boman, L.; Boström, J.; Koch, H.; Lindh, R.; de Merás, A. S.; Pedersen, T. B., Linear-Scaling Techniques in Computational Chemistry and Physics Springer, 301–343 (2011)

limacher2013

A new mean-field method suitable for strongly correlated electrons: computationally facile antisymmetric products of nonorthogonal geminals. Limacher, P. A.; Ayers, P. W.; Johnson, P. A.; De Baerdemacker, S.; Van Neck, D.; Bultinck, P., J. Chem. Theory Comput. 9, 1394–1401 (2013), http://dx.doi.org/10.1021/ct300902c

boguslawski2014a

Efficient description of strongly correlated electrons with mean-field cost. Boguslawski, K.; Tecmer, P.; Ayers, P. W.; Bultinck, P.; De Baerdemacker, S.; Van Neck, D., Phys. Rev. B 89, 201106(R) (2014), http://dx.doi.org/10.1103/PhysRevB.89.201106

boguslawski2014b

Non-variational orbital optimization rechniques for the AP1roG wave function. Boguslawski, K.; Tecmer, P.; Ayers, P. W.; Bultinck, P.; De Baerdemacker, S.; Van Neck, D., 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. Limacher, P. A.; Ayers, P. W.; Johnson, P. A.; De Baerdemacker, S.; Van Neck, D.; Bultinck, P., Phys. Chem. Chem. Phys 16, 5061–5065 (2014), http://dx.doi.org/10.1039/C3CP53301H

boguslawski2015a

Orbital entanglement in quantum chemistry. Boguslawski, K.; Tecmer, P., 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. Boguslawski, K.; Ayers, P. W., 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, K., 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. Boguslawski, K.; Tecmer, P.; Legeza, Ö, 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, K.; Tecmer, P., 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, K.; Tecmer, P., Int. J. Quantum Chem. 117, e25455 (2017), http://dx.doi.org/10.1002/qua.25455

boguslawski2017c

Erratum: Targeting excited states in all-trans polyenes with electron-pair states. Boguslawski, K., 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/

nowak2020

Orbital entanglement and correlation from pCCD-tailored Coupled Cluster wave functions. Nowak, A.; Legeza, Ö.; Boguslawski, K., Phys. Rev. B (submitted) arXiv, arXiv:2010.01934 (2020), https://arxiv.org/abs/2010.01934

patkowski2020

Recent developments in symmetry-adapted perturbation theory. Patkowski, K., WIREs Comput. Mol. Sci. 10, e1452 (2020), http://dx.doi.org/10.1002/wcms.1452