DFT Calculations for Real Solids-Reference-Cited by-同舟云学术

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DFT Calculations for Real Solids

Published:2017-08-09 Issue: Volume: Page:227-259
ISSN:
Container-title:Handbook of Solid State Chemistry
language:
Short-container-title:

Author:

Schwarz Karlheinz¹,Blaha Peter¹

Affiliation:

1. Technical University Vienna; Institute for Materials Chemistry; Getreidemarkt 9-165-TC A-1060 Vienna Austria

Publisher

Wiley-VCH Verlag GmbH & Co. KGaA

Reference73 articles.

1. Computational Chemistry of Solid State Materials

2. Coupled-cluster theory in quantum chemistry

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1. Quantum Mechanics Computer Simulations;Computer Simulations in Molecular Biology;2023

2. Noncovalent Sulfoxide–Nitrile Coupling Involving Four-Center Heteroleptic Dipole–Dipole Interactions between the Sulfinyl and Nitrile Groups;Crystal Growth & Design;2020-04-09

3. WIEN2k: An APW+lo program for calculating the properties of solids;The Journal of Chemical Physics;2020-02-21

4. Challenges for Theory and Computation;Computation;2017-12-04

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