On some approximations in applications of <i>X</i>α theory
An approximate Xα functional is proposed from which the charge density fitting equations follow variationally. LCAO Xα calculations on atomic nickel and diatomic hydrogen show t...
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- 1
- Publications
- 1
- Citations
- 1,465
- Institution
- National Institute of Standards and Technology
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- 0000-0002-5563-4970
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