pp 121-126 February 1986

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

pp 135-143 February 1986

Applications of a novel algorithm for the calculation ofMCSCF wavefunction: a look into possible avenues of convergence acceleration

Kalyan Das Kumar Debashis Mukherjee Sankar Prasad Bhattacharyya

pp 145-154 February 1986

Linked-cluster theorem in open shell coupled-cluster theory for mp-mh model space determinants

D Mukherjee

pp 155-166 February 1986

Cluster expansion of the wave function. Potential energy curves of the ground and excited states of CO

O Kitao H Nakatsuji

pp 167-176 February 1986

The quantum chemistry of valency

M S Gopinathan

pp 177-194 February 1986

Direct calculation of energy differences, such as ionization potentials

W Kutzelnigg H Reitz S Durmaz S Koch

pp 195-205 February 1986

Dynamics of bond-formation in some bound states of HeH⁺

Ch V Rama Rao Asish K Chandra

pp 207-214 February 1986

The diabatic energy surface for H₃

Mayumi Okada G G Hall

pp 215-221 February 1986

Absorption spectrum for the transition state H₃^≠—A quantum mechanical model study

Sudeshna Sinha N Sathyamurthy K Banerjee

pp 223-229 February 1986

Approximate multiconfiguration variational calculations using partially localized orbitals

G P Das

pp 231-239 February 1986

Improved Z-dependence of the ground-state energies of neutral atoms

P K Chattaraj A Mukherjee M P Das B M Deb

pp 241-248 February 1986

Compton profiles of atoms from electron densities via reciprocal form factors

Shridhar R Gadre Subhas J Chakravorty

pp 249-252 February 1986

Sum rules in inelastic gas-surface scattering

Ramakrishna Ramaswamy

pp 253-262 February 1986

Ab initio calculations on lithium-bonded dimers: a brief review

A B Sannigrahi Tapas Kar B Guha Niyogi

pp 263-273 February 1986

Currents, kinetic energy, and molecular magnetism

R McWeeny

pp 275-279 February 1986

Direct space symmetry adaptation of crystal orbitals

Jean-Louis Calais

pp 281-284 February 1986

Semi-empirical calculation of static molecular polarizability using CHFT: some benzene derivatives and aromatic heterocycles

Rana Sen Subirnath Bhattacharyya

pp 285-290 February 1986

Geometry optimization of acetonitrile monomer and dimers using CNDO/force method

R Brakaspathy Surjit Singh