Ab initio calculation of some low-lying electronic excited states of methane
- 1 January 1973
- journal article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 32 (2) , 161-170
- https://doi.org/10.1007/bf00528488
Abstract
No abstract availableKeywords
This publication has 17 references indexed in Scilit:
- Ab initiocalculation of the lowest ionization potential and transition energies of methaneMolecular Physics, 1972
- Near Hartree—Fock Calculations of the Force Constants and Dipole Moment Derivatives in MethaneThe Journal of Chemical Physics, 1972
- Calculations of molecular wave functions in terms of modulated plane wavesTheoretical Chemistry Accounts, 1972
- K-shell ionization energies in molecules by SCF GF calculationsChemical Physics Letters, 1971
- CNDO, INDO and RCNDO-CI calculations on the electronic spectra of saturated hydrocarbonsTheoretical Chemistry Accounts, 1971
- The electronic spectra of n-alkanesJournal of Molecular Spectroscopy, 1967
- Pariser and Parr type calculations on saturated hydrocarbons ITheoretical Chemistry Accounts, 1966
- Self-Consistent Group Calculations on Polyatomic Molecules. I. Basic Theory with an Application to MethaneThe Journal of Chemical Physics, 1965
- X-ray scattering by aggregates of bonded atoms. III. The bond scattering factor: simple methods of approximation in the general caseActa Crystallographica, 1953
- Electronic Structures of Polyatomic Molecules. IX. Methane, Ethane, Ethylene, AcetyleneThe Journal of Chemical Physics, 1935