Calculation of Electronically Excited States in Molecules: Intensity and Vibrational Structure of Spectra, Photochemical Implications
- 1 January 1980
- book chapter
- Published by Springer Nature
Abstract
No abstract availableKeywords
This publication has 51 references indexed in Scilit:
- Applicability of the multi-reference double-excitation CI (MRD-CI) method to the calculation of electronic wavefunctions and comparison with related techniquesMolecular Physics, 1978
- Accuracy, Timing and General Applicability of the MRD-CI MethodPublished by Springer Nature ,1978
- Modification of Davidson's method for the calculation of eigenvalues and eigenvectors of large real-symmetric matrices: “root homing procedure”Journal of Computational Physics, 1976
- Calculation of Potential Surfaces for Ground and Excited StatesPublished by Springer Nature ,1976
- Energy extrapolation in CI calculationsTheoretical Chemistry Accounts, 1975
- The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matricesJournal of Computational Physics, 1975
- Individualized configuration selection in CI calculations with subsequent energy extrapolationTheoretical Chemistry Accounts, 1974
- Chemical Spectroscopy and Photochemistry in the Vacuum-UltravioletPublished by Springer Nature ,1974
- The iterative calculation of several of the lowest or highest eigenvalues and corresponding eigenvectors of very large symmetric matricesJournal of Computational Physics, 1973
- Configuration Interaction Studies of Ground and Excited States of Polyatomic Molecules. I. The CI Formulation and Studies of FormaldehydeThe Journal of Chemical Physics, 1969