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Formation of the total energy of the stable modification of a simple metal

✍ Scribed by V. A. Smirnov; Yu. V. Kiselev; É. V. Kozlov

Book ID: 112425884
Publisher: Springer
Year: 1982
Tongue: English
Weight: 298 KB
Volume: 25
Category: Article
ISSN: 1573-9228
DOI: 10.1007/bf00891687

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📜 SIMILAR VOLUMES

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## A new term occurs in Ihe evprsssion for the gradient of the total encr\_ey in Hartree-Fock thsory with respecr to the nuclear coordinates for systems with psrtially filled energy bands. This is due to the chzuqes of the ground s131e contigumtion upon geometry for metals; the numerical work to e

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