✦ LIBER ✦

The pseudopotential-density-functional method in momentum space: details and test cases

✍ Scribed by Denteneer, P J H; Haeringen, W van

Book ID: 120405230
Publisher: Institute of Physics
Year: 1985
Tongue: English
Weight: 1009 KB
Volume: 18
Category: Article
ISSN: 0022-3719
DOI: 10.1088/0022-3719/18/21/010

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A postulate involving quantum mechanical

A postulate involving quantum mechanical momentum in position space, density function expression of the kinetic energy and Heisenberg’s uncertainty relation

✍ Carbó-Dorca, Ramon; Besalú, Emili 📂 Article 📅 2014 🏛 Springer 🌐 English ⚖ 204 KB

The conductivity tensor and frequency of

The conductivity tensor and frequency of electron momentum relaxation in the case of scattering by ionized impurities in a magnetic field: The density matrix method

✍ V. E. Kaminskii 📂 Article 📅 2005 🏛 Springer 🌐 English ⚖ 85 KB

Electronic Excitations in Pyrrole: A Tes

Electronic Excitations in Pyrrole: A Test Case for Determination of Chromophores in the Chromogenic Effects of Neurotoxic Hydrocarbons by Time-Dependent Density Functional Theory and Single-Excitation Configuration Interaction Methods

✍ Chang-Guo Zhan; David A. Dixon 📂 Article 📅 2002 🏛 Elsevier Science 🌐 English ⚖ 168 KB

Time-dependent density functional theory (TD-DFT) and single-excitation configuration interaction (CIS) calculations on the electronic excitations in pyrrole have been performed to examine the reliability of these first-principles electronic structure methods in predicting electronic excitation spec

[Theoretical and Computational Chemistry

[Theoretical and Computational Chemistry] Modern Density Functional Theory - A Tool for Chemistry Volume 2 || Constrained optimization procedure for finding transition states and reaction pathways in the framework of gaussian based density functional method: the case of isomerization reactions

✍ Abashkin, Y. 📂 Article 📅 1995 🏛 Elsevier 🌐 English ⚖ 766 KB

Borehole restoration methods and their e

Borehole restoration methods and their evaluation by step-drawdown tests: the case history of a detailed study in Northern Italy : Clark, L; Radini, M; Bison, P L Q J Engng Geol V21, N4, 1988, P315–328

📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 105 KB 👁 3 views