A detailed analysis of pseudorotation in PH4F Theresa L. WindusMark S. Gordon OriginalPaper Pages: 21 - 30
Exploiting regularity in systematic sequences of wavefunctions which approach the full CI limit Robert J. CaveSotiris S. XantheasDavid Feller OriginalPaper Pages: 31 - 55
A comparative study of the bonding in heteroatom analogues of benzene Nikita MatsunagaThomas R. CundariMark S. Gordon OriginalPaper Pages: 57 - 68
Orthogonally spin-adapted multi-reference Hilbert space coupled-cluster formalism: diagrammatic formulation Piotr PiecuchJosef Paldus OriginalPaper Pages: 69 - 103
Nuclear attraction and electron interaction integrals of exponentially decaying functions and the Poisson equation E. Otto SteinbornE. Joachim Weniger OriginalPaper Pages: 105 - 121
Localized molecular orbitals in CI calculations of organic molecules Thomas NeuheuserMalte von ArnimSigrid D. Peyerimhoff OriginalPaper Pages: 123 - 139
MCSCF study of polaron- and bipolaron-like defects in smallall-trans conjugated polyenes Hugo O. VillarMichel Dupuis OriginalPaper Pages: 155 - 163
The structures, binding energies and vibrational frequencies of Ca3 and Ca4 — An application of the CCSD(T) method Timothy J. LeeAlistair P. RendellPeter R. Taylor OriginalPaper Pages: 165 - 175
