✦ LIBER ✦
Use of 2h and 3h − p-like coupled-cluster Tamm–Dancoff approaches for the equilibrium properties of ozone
✍ Scribed by Kurt W Sattelmeyer; Henry F Schaefer III; John F Stanton
- Publisher
- Elsevier Science
- Year
- 2003
- Tongue
- English
- Weight
- 151 KB
- Volume
- 378
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
Equation-of-motion coupled-cluster theory in a 2h and 3h ) p-like TDA approach has been utilized to determine properties of the ground state of ozone (O 3 ). Many of the values produced with this scheme are better than those obtained with other approaches with similar computational scaling properties.