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Molecular geometry and atomization energies

✍ Scribed by V. G. Dashevskii

Publisher
SP MAIK Nauka/Interperiodica
Year
1968
Tongue
English
Weight
689 KB
Volume
9
Category
Article
ISSN
0022-4766

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πŸ“œ SIMILAR VOLUMES

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The local spin-density LSD functional and Perdew᎐Wang 91 PW91 generalized gradient approximations to atomization energies of molecules are investigated. We discuss the coupling-constant dependence of the atomization energy and why exchange errors of the functionals are greater than exchange᎐correlat