TECHNICAL REPORT, 1966.
Abstract
Contents: Spectroscopy, molecular orbitals, and chemical bonding (1966 Nobel Lecture for Chemistry by R. S. Mulliken); The bonding characteristics of diatomic MO's; John Clarke Slater - his work and a bibliography; The assignment of quantum numbers for electrons in molecules; A relativistic self-consistent-field theory for closed shell atoms; Electric dipole polarizability of atoms by the Hartree-Fock method. The Iso-Electronic 10-Electron Series; Recursive evaluation of some atomic integrals; Accurate analytical self-consistent-field (SCF) Hartree-Fock (H-F) wave functions for second-row atoms; Polarizability of the hydrogen molecule; Relative location of the triplet and singlet states in H2; Long-range interaction between 1s and 2s or 2p hydrogen atoms; Extended Hartree-Fock ground state wavefunctions for the lithium molecule; First row hydrides, AH; The electronic structure of diatomic molecules; Toward a charge density analysis of the chemical bond; A study of BeH3(-), BH3, CH3(+), NH3(++), OH3(3+) by one-center expansion self-consistent-field method; All-electron SCF wavefunction for the ground state of pyridine and pyrazine; Identification of the 3Pi0-(O(-)) to X1Sigma(+)(O(+)) transition of the InH molecule; Ultraviolet absorption spectra of trimethylamine N-oxide; Rotational analysis of some new absorption bands of SrH and SrD in the ultra-violet region.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jan 01, 1966
- Accession Number
- AD0651963
Entities
People
- Clemens C. J. Roothaan
- Robert S. Mulliken
Organizations
- University of Chicago