𝔖 Bobbio Scriptorium
✦   LIBER   ✦

T5 operator in coupled cluster calculations

✍ Scribed by Monika Musiał; Stanisław A. Kucharski; Rodney J. Bartlett


Book ID
108311857
Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
79 KB
Volume
320
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Comparison of coupled-cluster and Brueck
✍ Rika Kobayashi; Henrik Koch; Poul Jørgensen; Timothy J. Lee 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 575 KB

The dipole moment, polarizabilities and hyperpolarizabilities of Ne, Be, BH, CH+, CO and NNO have been determined using the coupled-cluster and Brueckner coupled-cluster methods. The effect of orbital relaxation on these properties has been investigated implicitly, by carrying out singles and double

On the Coulomb operator for embedded clu
✍ Mattias Klintenberg 📂 Article 📅 1999 🏛 Elsevier Science 🌐 English ⚖ 65 KB

In performing ab-initio or DFT embedded cluster calculations in infinite periodic systems one unsolved problem is how to embed the quantum cluster in the general case. We show that the Ewald real space sum can be implemented as an operator in the Hamiltonian when the reciprocal space sum is made sma