Calculations of the IR Intensities of Absorption Bands by the Hartree–Fock (ab initio) and Density-Functional Methods

By Gribov L.A.   Alekseev E.V.  

Journal of Applied Spectroscopy, Vol. 70, Iss. 3, 2003-05 ,pp. : 327-330

Springer Publishing Company

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Multiconfiguration Dirac-Hartree-Fock Calculations with Spectroscopic Accuracy: Applications to Astrophysics

By Jönsson Per   Gaigalas Gediminas   Rynkun Pavel   Radžiūtė Laima   Ekman Jörgen   Gustafsson Stefan   Hartman Henrik   Wang Kai   Godefroid Michel   Froese Fischer Charlotte   Grant Ian   Brage Tomas   Del Zanna Giulio  

Atoms, Vol. 5, Iss. 2, 2017-04 ,pp. : 16-16

MDPI

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Merging two traditional methods: the Hartree-Fock and the Heitler-London and adding density functional correlation corrections

By Clementi Enrico   Corongiu Giorgina  

Theoretical Chemistry Accounts, Vol. 118, Iss. 3, 2007-09 ,pp. : 453-471

Springer Publishing Company

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Calculations of the Energies of the Excited States of Open-Shell Atoms in the Hartree-Fock Approximation

By Malykhanov Yu.   Romanov S.  

Journal of Applied Spectroscopy, Vol. 72, Iss. 3, 2005-05 ,pp. : 306-315

Springer Publishing Company

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Non-locality in the exchange energy density of the inhomogeneous electron liquids in H2O, NH3 and CH4 treated by Hartree-Fock theory

By Van Alsenoy C.  

Physics and Chemistry of Liquids, Vol. 45, Iss. 1, 2007-02 ,pp. : 15-24

Taylor & Francis Ltd

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