Utilization of locally shifted potentials in approximate electronic structure calculations

Journal of Physics Condensed Matter

Volumn 10, Issue 8, 1998, Pages 1813-1824

  Zaharioudakis, D ^a,b   Faulkner, J S ^c   Andriotis, A N ^a  

^a INSTITUTE OF ELECTRONIC STRUCTURE AND LASER   (Greece)

^b UNIVERSITY OF CRETE   (Greece)

^c FLORIDA ATLANTIC UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0012981453     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/10/8/014     Document Type: Article

References (46)

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44. 1 type.
45. A similar case is observed in other LDA-based electronic structure calculations. For example, state-of-the-art computations [43] of the bulk modulus of various metals predict results in very good agreement with experiment if the bulk modulus is calculated at the experimentally observed lattice constant of the metal instead of using the one found theoretically.
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