Direct, atomic orbital, static exchange calculations of photoabsorption spectra of large molecules and clusters
- 6 May 1994
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 222 (1-2) , 75-81
- https://doi.org/10.1016/0009-2614(94)00318-1
Abstract
No abstract availableKeywords
This publication has 16 references indexed in Scilit:
- Direct atomic orbital based self-consistent-field calculations of nonlinear molecular properties. Application to the frequency dependent hyperpolarizability of para-nitroanilineThe Journal of Chemical Physics, 1993
- Direct atomic-orbital-based time-dependent Hartree–Fock calculations of frequency-dependent polarizabilitiesThe Journal of Chemical Physics, 1992
- A theoretical study of x-ray photoelectron spectra of model molecules for polymethylmethacrylateThe Journal of Chemical Physics, 1991
- Correlation of molecular valence- and K-shell photoionization resonances with bond lengthsThe Journal of Chemical Physics, 1989
- Electron transmission and inner-shell electron energy loss spectroscopy of acetonitrile, isocyanomethane, methyl thiocyanate, and isothiocyanatomethaneThe Journal of Physical Chemistry, 1989
- Principles for a direct SCF approach to LICAO–MOab‐initio calculationsJournal of Computational Chemistry, 1982
- A basis set investigation for the oxygen 1s ionization potential in H2OInternational Journal of Quantum Chemistry, 1977
- Gaussian Basis Functions for Use in Molecular Calculations. III. Contraction of (10s6p) Atomic Basis Sets for the First-Row AtomsThe Journal of Chemical Physics, 1971
- Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row AtomsThe Journal of Chemical Physics, 1970
- Excited States of H2O using improved virtual orbitalsChemical Physics Letters, 1969