Ab initio calculation of the first ionization potential in linear alkanes using exciton theory

By Pauzat F.   Ridard J.   Millié Ph.  

Molecular Physics, Vol. 24, Iss. 5, 1972-11 ,pp. : 1039-1049

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An ab initio calculation of the rovibronic energies of the BH2 molecule

By Kolbuszewski M.   Bunker P. R.   Osmann Gerald   Jensen Per   Kraemer W. P.  

Molecular Physics, Vol. 88, Iss. 1, 1996-05 ,pp. : 105-124

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g-HARTREE AB-INITIO CALCULATION OF ATOMIC IONIZATION ENERGY

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Le Journal de Physique Colloques, Vol. 48, Iss. C9, 1987-12 ,pp. : C9-509-C9-512

Edp Sciences

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Applications of a non-perturbative many-body formalism to general open-shell atomic and molecular problems: calculation of the ground and the lowest &pgr;-&pgr;* singlet and triplet energies and the first ionization potential of trans-butadiene

By Mukherjee Debashis   Moitra Raj   Mukhopadhyay Atri  

Molecular Physics, Vol. 33, Iss. 4, 1977-04 ,pp. : 955-969

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A NEW APPROACH TO THE AB INITIO CALCULATION OF ELECTRONIC STRUCTURE OF TRANSITION METALS AND THEIR ALLOYS

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Le Journal de Physique Colloques, Vol. 32, Iss. C1, 1971-02 ,pp. : C1-282-C1-283

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