Structure of the Ground State of HCN
- 1 August 1962
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 37 (3), 627-630
- https://doi.org/10.1063/1.1701386
Abstract
A wave function is presented for the ground state of HCN calculated in the LCAO MO SCF approximation. All integrals needed to compute the expectation value of the energy of the molecule were computed accurately. The results of a population analysis on the wave function are reported.Keywords
This publication has 8 references indexed in Scilit:
- SCF-LCAO-MO Wave Function for the 1Σg+ Ground State of C3The Journal of Chemical Physics, 1962
- SCF-MO Wave Functions for the Hydrogen Fluoride MoleculeThe Journal of Chemical Physics, 1962
- Double-ζ SCF MO Calculation of the Ground and Some Excited States of N2The Journal of Chemical Physics, 1961
- LCAO-MO-SCF Ground State Calculations on C2H2 and CO2The Journal of Chemical Physics, 1960
- Studies in Molecular Structure. I. Scope and Summary of the Diatomic Molecule ProgramReviews of Modern Physics, 1960
- Electronic Population Analysis on LCAO–MO Molecular Wave Functions. IThe Journal of Chemical Physics, 1955
- Studies of Ionization Efficiency. Part II. The Ionization Potentials of Some Organic MoleculesThe Journal of Chemical Physics, 1952
- New Developments in Molecular Orbital TheoryReviews of Modern Physics, 1951