The hartree-fock method and density-functional theory as applied to an infinite crystal and to a cyclic cluster

ISSN： 1063-7834

Source： Physics of the Solid State, Vol.44, Iss.9, 2002-09, pp. : 1656-1670

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

Related content

Optical response of extended systems from time-dependent Hartree-Fock and time-dependent density-functional theory

Journal of Physics: Conference Series , Vol. 367, Iss. 1, 2012-05 ,pp. : 4-15

IOP Publishing

Access to resources Recommend Favorite

Parallel implementation of Hartree-Fock and density functional theory analytical second derivatives

By Baker Jon Wolinski Krzysztof Malagoli Massimo Pulay Peter

Molecular Physics, Vol. 102, Iss. 23-24, 2004-01 ,pp. : 2475-2484

Taylor & Francis Ltd

Access to resources Recommend Favorite

Parallelization of analytical Hartree-Fock and density functional theory Hessian calculations. Part I: parallelization of coupled-perturbed Hartree-Fock equations

By Korambath Prakashan P. Kong Jing Furlani Thomas R. Head-Gordon Martin

Molecular Physics, Vol. 100, Iss. 11, 2002-06 ,pp. : 1755-1761

Taylor & Francis Ltd

Access to resources Recommend Favorite

Infrared spectra of thiouracils: experimental matrix isolation and ab initio Hartree-Fock, post-Hartree-Fock and density functional theory studies

By Lapinski L. Rostkowska H. Nowak M.J. Kwiatkowski J.S. Leszczynski J.

Vibrational Spectroscopy, Vol. 13, Iss. 1, 1996-12 ,pp. : 23-40

Elsevier

Access to resources Recommend Favorite

Hartree-Fock and density functional theory studies on ionization and fragmentation of halomethane molecules by positron impact

By Senthilkumar K. Kolandaivel P.

Molecular Physics, Vol. 100, Iss. 24, 2002-12 ,pp. : 3817-3822

Taylor & Francis Ltd

Access to resources Recommend Favorite