Gaussian basis sets for calculation of spin densities in first-row atoms Daniel M. Chipman OriginalPaper Pages: 73 - 84
Numerical computation of the electrostatic interaction energy between methanol and the dyad water-imidazole Dominique DeharengGeorges DiveJean-Marie Ghuysen OriginalPaper Pages: 85 - 94
An efficient first-order CASSCF method based on the renormalized Fock-operator technique U. MeierV. Staemmler OriginalPaper Pages: 95 - 111
Analytic expression of the second derivatives of electronic energy for full configuration interaction wave functions Yoshihiro Osamura OriginalPaper Pages: 113 - 124
Theoretical study of the borane and diborane positive ions M. SanaG. LeroyCh. Henriet OriginalPaper Pages: 125 - 135
Quantum simulation of vibration states and Franck-Condon overlap in non-separable potentials W. LorenzO. Heitzsch OriginalPaper Pages: 137 - 145
