Simple one-centre calculation of breathing force constants and equilibrium internuclear distances for NH 3 , H 2 O and HF

By Bishop D.M.   Hoyland J.R.   Parr R.G.  

Molecular Physics, Vol. 6, Iss. 5, 1963-06 ,pp. : 467-476

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Calculation of potential energy curves and quantum defects of the diatomic hydrides of first-row elements

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Journal of Physics: Conference Series , Vol. 488, Iss. 2, 2014-04 ,pp. : 31-31

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The effect of one-centre exchange integrals on the coupling constants in some simple hydrocarbons and their derivatives

By Ditchfield R.  

Molecular Physics, Vol. 17, Iss. 1, 1969-01 ,pp. : 33-39

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Ab initio calculation of force constants and equilibrium geometries

By Pulay P.  

Molecular Physics, Vol. 21, Iss. 2, 1971-01 ,pp. : 329-339

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One-centre multipole calculation of second-order perturbation energies for H + 2

By Magnasco Valerio   Figari Giuseppe   Siciliano Andrea   Rui Marina  

Molecular Physics, Vol. 84, Iss. 5, 1995-04 ,pp. : 813-824

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