✦ LIBER ✦

Calculation of integrals over ab initio pseudopotentials

✍ Scribed by Larry E McMurchie; Ernest R Davidson

Book ID: 107788648
Publisher: Elsevier Science
Year: 1981
Tongue: English
Weight: 645 KB
Volume: 44
Category: Article
ISSN: 0021-9991
DOI: 10.1016/0021-9991(81)90053-x

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio molecular fragment calculation

Ab initio molecular fragment calculations with pseudopotentials

✍ R. Gáspár Jr.; R. Gáspár 📂 Article 📅 1979 🏛 John Wiley and Sons 🌐 English ⚖ 388 KB

## Abstract Pseudopotential theory is introduced into the __ab initio__ FSGO molecular fragment method. Pseudopotential molecular fragments using pseudopotentials of double‐zeta quality are characterized, and a method of their assembly into larger molecules is presented. Core–valence electron separ

Ab-initio calculation, using ab-initio p

Ab-initio calculation, using ab-initio pseudopotentials, of some electronic properties of ethane, methylsilane and disilane

✍ Sid Topiol; Mark A. Ratner; Jules W. Moskowitz 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 562 KB

Ab initio pseudopotential calculation of

Ab initio pseudopotential calculation of phonon frequencies in lithium

✍ Rajendra P. Gupta 📂 Article 📅 1970 🏛 Elsevier Science 🌐 English ⚖ 213 KB

AB initio pseudopotential calculation of

AB initio pseudopotential calculation of phonon frequencies in silver

✍ V.K. Nikulin; Yu.N. Tsarev 📂 Article 📅 1971 🏛 Elsevier Science 🌐 English ⚖ 174 KB

Ab initio pseudopotential calculations o

Ab initio pseudopotential calculations of dopant diffusion in Si

✍ Jing Zhu 📂 Article 📅 1998 🏛 Elsevier Science 🌐 English ⚖ 159 KB

Atomic basis set calculations with ab-in

Atomic basis set calculations with ab-initio relativistic pseudopotentials

✍ P. Marketos 📂 Article 📅 1989 🏛 Springer 🌐 English ⚖ 768 KB