Second-order density functional methods where the correlation energy depends on the . second-order density matrix and on a density functional are used to introduce the Ž . electron correlation in two-configuration direct minimization TCDM ab initio electronic Ž . energy calculations of three-dimensi
✦ LIBER ✦
Optical second-order susceptibility of copper surface due to image potential surface states
✍ Scribed by H.D. Wei; Ru-Pin Pan; T.J.Watson Yang
- Publisher
- Elsevier Science
- Year
- 1989
- Tongue
- English
- Weight
- 242 KB
- Volume
- 71
- Category
- Article
- ISSN
- 0038-1098
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Application of second-order density func
✍
Alfredo Aguado; Virgilio Sanz; Miguel Paniagua
📂
Article
📅
1997
🏛
John Wiley and Sons
🌐
English
⚖ 238 KB
👁 2 views
Second-order state-specific multireferen
✍
Uttam Sinha Mahapatra; Sudip Chattopadhyay; Rajat K. Chaudhuri
📂
Article
📅
2010
🏛
John Wiley and Sons
🌐
English
⚖ 380 KB
The complete active space spin-free state-specific multireference Møller-Plesset perturbation theory (SS-MRMPPT) based on the Rayleigh-Schrödinger expansion has proved to be very successful in describing electronic states of model and real molecular systems with predictive accuracy. The SS-MRMPPT me