Ab initio projected-unrestricted Hartree-Fock calculations

By Lengsfield Byron   Schug John  

Molecular Physics, Vol. 35, Iss. 4, 1978-04 ,pp. : 1113-1123

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Spin-extended Hartree-Fock ab initio calculations for small radicals

By Klimo Viliam   Tińo Jozef  

Molecular Physics, Vol. 35, Iss. 6, 1978-06 ,pp. : 1777-1783

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An ab initio coupled Hartree-Fock calculation of the nuclear shielding in the H 2 /He interacting system

By Riley J.P.   Hillier I.H.   Raynes W.T.  

Molecular Physics, Vol. 38, Iss. 2, 1979-08 ,pp. : 353-365

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Local polarizability calculations with localized orbitals in the uncoupled Hartree-Fock approximation

By Åstrand Per-Olof   Karlström Gunnar  

Molecular Physics, Vol. 77, Iss. 1, 1992-09 ,pp. : 143-155

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Molecular structure and vibrational spectra of [2-Oxo-2-(4-acetyl) phenyl amino] ethylene methacrylate by density functional theory and ab initio Hartree–Fock calculations

By Yakuphanoglu F.   Atalay Y.   Erol I.  

Molecular Physics, Vol. 103, Iss. 24, 2005-12 ,pp. : 3309-3314

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