Coulomb-attenuated exchange energy density functionals

By Gill Peter M. W.   Adamson Ross D.   Pople John A.  

Molecular Physics, Vol. 88, Iss. 4, 1996-07 ,pp. : 1005-1010

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

A study of the role played by the Hartree-Fock orbital exchange in the formation of the energy of the first singlet charge-transfer excited state by the example of JK-62 and JK-201 sensitizing dye molecules

By Baryshnikov G.   Minaev B.   Slepets A.   Minaeva V.  

Optics and Spectroscopy, Vol. 116, Iss. 3, 2014-03 ,pp. : 431-437

MAIK Nauka/Interperiodica

Access to resources Recommend Favorite

Uncoupled Hartree-Fock perturbation theory for the density matrix: the second-order properties of conjugated molecules

By Lazzeretti P.  

Molecular Physics, Vol. 28, Iss. 6, 1974-12 ,pp. : 1389-1395

Taylor & Francis Ltd

Access to resources Recommend Favorite

SEMICLASSICAL CALCULATION OF THE WIGNER TRANSFORM OF THE SINGLE PARTICLE DENSITY MATRIX AND SEMICLASSICAL HARTREE-FOCK

By  

Le Journal de Physique Colloques, Vol. 45, Iss. C6, 1984-06 ,pp. : C6-191-C6-197

Edp Sciences

Access to resources Recommend Favorite