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Self-consistent geometry in the computation of the vibrational spectra of molecules

✍ Scribed by Scivetti, Iván; Kohanoff, Jorge; Gidopoulos, Nikitas

Book ID
120615641
Publisher
The American Physical Society
Year
2009
Tongue
English
Weight
175 KB
Volume
80
Category
Article
ISSN
1050-2947

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📜 SIMILAR VOLUMES

Computation of intensities of vibrationa
Computation of intensities of vibrational spectra of electronic bands in diatomic molecules. II
✍ C. Manneback; A. Rahman 📂 Article 📅 1954 🏛 Elsevier Science ⚖ 202 KB

Following up the technique of M a n n e b a c k 1) which provides very simple recurrence relations for the calculation of transition-moments, similar recurrence relations are now developed showing that if electrical anharmonicity is introduced while conserving the mechanical harmonicity of the two e

Computation of intensities of vibrationa
Computation of intensities of vibrational spectra of electronic bands in diatomic molecules III
✍ Anees Rahman 📂 Article 📅 1955 🏛 Elsevier Science ⚖ 177 KB

Following the technique of M a n n e b a c k 1) which provides very simple recurrence relations for the calculation of transition moments, it is shown that similar recurrence relations give the transition moments also when the purely electronic transition probability varies exponentially with the in