A generalization of Brillouin's theorem and the stability conditions in the quantum-mechanical variation principle in the case of general trial wave functions Per-Olov Löwdin OriginalPaper Pages: 121 - 126
Applications of a novel algorithm for the calculation ofMCSCF wavefunction: a look into possible avenues of convergence acceleration Kalyan Das KumarDebashis MukherjeeSankar Prasad Bhattacharyya OriginalPaper Pages: 135 - 143
Linked-cluster theorem in open shell coupled-cluster theory for mp-mh model space determinants D Mukherjee OriginalPaper Pages: 145 - 154
Cluster expansion of the wave function. Potential energy curves of the ground and excited states of CO O KitaoH Nakatsuji OriginalPaper Pages: 155 - 166
Direct calculation of energy differences, such as ionization potentials W KutzelniggH ReitzS Koch OriginalPaper Pages: 177 - 194
Dynamics of bond-formation in some bound states of HeH+ Ch V Rama RaoAsish K Chandra OriginalPaper Pages: 195 - 205
Absorption spectrum for the transition state H 3 ≠ —A quantum mechanical model study Sudeshna SinhaN SathyamurthyK Banerjee OriginalPaper Pages: 215 - 221
Approximate multiconfiguration variational calculations using partially localized orbitals G P Das OriginalPaper Pages: 223 - 229
Improved Z-dependence of the ground-state energies of neutral atoms P K ChattarajA MukherjeeB M Deb OriginalPaper Pages: 231 - 239
Compton profiles of atoms from electron densities via reciprocal form factors Shridhar R GadreSubhas J Chakravorty OriginalPaper Pages: 241 - 248
Ab initio calculations on lithium-bonded dimers: a brief review A B SannigrahiTapas KarB Guha Niyogi ReviewPaper Pages: 253 - 262
Direct space symmetry adaptation of crystal orbitals Jean-Louis Calais OriginalPaper Pages: 275 - 279
Semi-empirical calculation of static molecular polarizability using CHFT: some benzene derivatives and aromatic heterocycles Rana SenSubirnath Bhattacharyya OriginalPaper Pages: 281 - 284
Geometry optimization of acetonitrile monomer and dimers using CNDO/force method R BrakaspathySurjit Singh OriginalPaper Pages: 285 - 290