✦ LIBER ✦

Ab initio energy-adjusted pseudopotentials for elements of groups 13–17

✍ Scribed by Bergner, Andreas; Dolg, Michael; Küchle, Wolfgang; Stoll, Hermann; Preuß, Heinzwerner

Book ID: 120317066
Publisher: Taylor and Francis Group
Year: 1993
Tongue: English
Weight: 515 KB
Volume: 80
Category: Article
ISSN: 0026-8976
DOI: 10.1080/00268979300103121

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Energy-adjusted ab initio pseudopotentia

Energy-adjusted ab initio pseudopotentials for the rare earth elements

✍ Dolg, M.; Stoll, H.; Preuss, H. 📂 Article 📅 1989 🏛 American Institute of Physics 🌐 English ⚖ 624 KB

Energy-adjusted ab initio pseudopotentia

Energy-adjusted ab initio pseudopotentials for the first row transition elements

✍ Dolg, M.; Wedig, U.; Stoll, H.; Preuss, H. 📂 Article 📅 1987 🏛 American Institute of Physics 🌐 English ⚖ 625 KB

Ab initio energy-adjusted pseudopotentia

Ab initio energy-adjusted pseudopotentials for the noble gases Ne through Xe: Calculation of atomic dipole and quadrupole polarizabilities

✍ Nicklass, Andreas; Dolg, Michael; Stoll, Hermann; Preuss, Heinzwerner 📂 Article 📅 1995 🏛 American Institute of Physics 🌐 English ⚖ 523 KB

The low-lying electronic states of ceriu

The low-lying electronic states of cerium monoxide CeO: ab initio calculations using energy-adjusted pseudopotentials and spin-orbit operators

✍ Michael Dolg; Hermann Stole; Heinzwerner Preuss 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 896 KB

Ab initio pseudopotential calculations o

Ab initio pseudopotential calculations of total energies and forces for hydrogen in palladium

✍ C. Elsässer; M. Fähnle; K.M. Ho; C.T. Chan 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 563 KB

Ground-state properties of palladium-hydrogen systems are investigated in the framework of density functional theory in the local-density approximation. Norm-conserving ab initio pseudopotentials are used to describe the interactions between electrons and ion cores. The crystalline wave functions an

Relativistic energy-consistent ab initio

Relativistic energy-consistent ab initio pseudopotentials as tools for quantum chemical investigations of actinide systems

✍ Xiaoyan Cao; Michael Dolg 📂 Article 📅 2006 🏛 Elsevier Science 🌐 English ⚖ 422 KB