Interaction Energy Among Three Helium Atoms |
Common terms and phrases
2H+G 9 array corresponding a₁a a₁c a₂c atomic orbitals atomic units azb azc Bohr Radii calculated CATHOLIC UNIVERSITY Chem computed DOCTOR OF PHILOSOPHY eigenvalues electron elements ENERGY AMONG THREE equation solver evaluated G matrix given by Hirschfelder Hamiltonian Hartree Units Hez system interaction energy internuclear separations ionic crystals Jaaba Jaabb Jabba Jabbb Jabbc Jacba Jacbb Jacbc Jiab Jprqs Jprsq LCAO MO's LCAO SCF method linear configuration Macek molecular orbitals molecular system MSO's Mulliken nuclear charge nuclear repulsion nuclear-field ز one-center one-electron orbital energies overlap integral pairs partition function Phys potential energy procedure Roothaan's method secular equation self-consistent field Slater-type spin tegrals teraction THREE HELIUM ATOMS three MO's three-center tion total energy undetermined coefficients UNIVERSITY OF AMERICA values Vanderslice Virginia Griffing wave function Wehner азс