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Extension of the Self-Consistent-Charge Density-Functional Tight-Binding Method: Third-Order Expansion of the Density Functional Theory Total Energy and Introduction of a Modified Effective Coulomb Interaction

✍ Scribed by Yang, ; Yu, Haibo; York, Darrin; Cui, Qiang; Elstner, Marcus

Book ID
125893112
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
210 KB
Volume
111
Category
Article
ISSN
1089-5639

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