✦ LIBER ✦
Analytic evaluation of energy gradients for the single and double excitation coupled cluster (CCSD) wave function: A comparison with configuration interaction (CCSD, CISDT, and CISDTQ) results for the harmonic vibrational frequencies, infrared intensities, dipole moment, and inversion barrier of ammonia
✍ Scribed by Gustavo E. Scuseria; Andrew C. Scheiner; Julia E. Rice; Timothy J. Lee; Henry F. Schaefer III
- Publisher
- John Wiley and Sons
- Year
- 1987
- Tongue
- English
- Weight
- 379 KB
- Volume
- 32
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.