## Abstract Fraga potential calculations with atomic point charges and geometrical parameters calculated from AM1 calculations have been used to calculate spectral shifts upon electronic excitation in twisted intramolecular charge transfer (TICT) systems due to intermolecular interactions. Changes
โฆ LIBER โฆ
Use of nuclear potential to investigate the atomic size dependency of populations defined within the theory of atoms in molecules
โ Scribed by Laidig, Keith E.
- Book ID
- 126154866
- Publisher
- American Chemical Society
- Year
- 1992
- Tongue
- English
- Weight
- 299 KB
- Volume
- 114
- Category
- Article
- ISSN
- 0002-7863
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We present a time-dependent density-functional theory TDDFT with ## ลฝ . ลฝ . optimized effective potential OEP and self-interaction correction SIC for nonperturbative treatment of multiphoton and nonlinear optical processes of manyelectron systems in intense laser fields. The resulting TDOEPrKLI-SI