✦ LIBER ✦

Improving convergence in force field calculations

✍ Scribed by L. Nemes

Book ID: 113371932
Publisher: Elsevier Science
Year: 1968
Tongue: English
Weight: 100 KB
Volume: 24
Category: Article
ISSN: 1386-1425
DOI: 10.1016/0584-8539(68)80078-9

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

New aspects in force field calculations

✍ J. Mink 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 876 KB

Redundant coordinates in harmonic force-

Redundant coordinates in harmonic force-field calculations

✍ Ian M. Mills 📂 Article 📅 1969 🏛 Elsevier Science 🌐 English ⚖ 525 KB

Iterative force-field calculations of cy

Iterative force-field calculations of cyclodecanone

✍ Tarik N. Rawdah 📂 Article 📅 1989 🏛 Elsevier Science 🌐 French ⚖ 381 KB

Force field calculations of acetonitrile

Force field calculations of acetonitrile using CNDO/force method

✍ R Brakaspathy; Surjit Singh 📂 Article 📅 1987 🏛 Springer-Verlag 🌐 English ⚖ 289 KB

Convergence improvement for coupled-clus

Convergence improvement for coupled-cluster calculations

✍ Mosyagin, N S; Eliav, E; Kaldor, U 📂 Article 📅 2001 🏛 Institute of Physics 🌐 English ⚖ 64 KB

Forcing of convergence in pathological s

Forcing of convergence in pathological self-consistent-field calculations: a Padé-(MC)SCF strategy

✍ Biplab Sarkar; Kamal Bhattacharyya; S.P. Bhattacharyya 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 505 KB

The efficacy of a Pad&(MC)SCF strategy both in accelerating slowly convergent iterative sequences and forcing convergence in pathologically divergent problems is explored. Comparison is made with the traditional level-(root-)shifted (MC)SCF ap preach. Finally, the performance of a coupled Pad&level-