✦ LIBER ✦

The use of the method of “displacement of the levels” to ensure convergence in semi-empirical quantum-chemical calculations

✍ Scribed by V. G. Maslov

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Mindo/3 semi-empirical quantum chemical

✍ V. L. Furer 📂 Article 📅 1991 🏛 Springer US 🌐 English ⚖ 369 KB

M. O. calculations applicable to condens

✍ Mati M. Karelson; Thomas Tamm; Alan R. Katritzky; Stephen J. Cato; Michael C. Ze 📂 Article 📅 1989 🏛 Elsevier Science ⚖ 598 KB

A semi-empirical calculation of the deep

✍ J.P. Xanthakis; R.L. Jacobs; P.R. Mason 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 288 KB

Application of semi-empirical molecular

✍ Michael R. Hayns; Lenard Dissado 📂 Article 📅 1975 🏛 Springer 🌐 English ⚖ 685 KB

A semi-empirical method to calculate cro

✍ H. Deutsch; K. Becker; T.D. Märk 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 246 KB

On the role of configuration interaction

✍ W. Jakubetz; H. Lischka; P. Rosmus; P. Schuster 📂 Article 📅 1971 🏛 Elsevier Science 🌐 English ⚖ 382 KB