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Volumn 81, Issue 12, 2010, Pages

Fusion of the LAPW and LMTO methods: The augmented plane wave plus muffin-tin orbital method

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Indexed keywords


EID: 77955136675     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.81.125117     Document Type: Article
Times cited : (116)

References (16)
  • 1
    • 23244461569 scopus 로고
    • 10.1103/PhysRevB.12.3060
    • O. K. Andersen, Phys. Rev. B 12, 3060 (1975). 10.1103/PhysRevB.12.3060
    • (1975) Phys. Rev. B , vol.12 , pp. 3060
    • Andersen, O.K.1
  • 2
  • 3
    • 25744460922 scopus 로고
    • 10.1103/PhysRevB.50.17953
    • P. E. Blöchl, Phys. Rev. B 50, 17953 (1994). 10.1103/PhysRevB.50. 17953
    • (1994) Phys. Rev. B , vol.50 , pp. 17953
    • Blöchl, P.E.1
  • 5
    • 77955126896 scopus 로고    scopus 로고
    • There are some subtleties when the operator is the one-body potential; see Ref..
    • There are some subtleties when the operator is the one-body potential; see Ref..
  • 6
    • 77955152842 scopus 로고    scopus 로고
    • The PAW method uses a similar construction. It is the one of primary differences between PAW and conventional LAPW.
    • The PAW method uses a similar construction. It is the one of primary differences between PAW and conventional LAPW.
  • 10
    • 77955160292 scopus 로고    scopus 로고
    • z Rl, finite l cutoff in augmentation and within the frozen core approximation where the core tails are expanded into the interstitial by attaching a smoothed Hankel function.
    • z Rl, finite l cutoff in augmentation and within the frozen core approximation where the core tails are expanded into the interstitial by attaching a smoothed Hankel function.
  • 11
    • 77955125980 scopus 로고    scopus 로고
    • A drawback of this procedure is that slight discontinuities arise, e.g., in the k dependence of the energy bands or the total energy vs lattice constant.
    • A drawback of this procedure is that slight discontinuities arise, e.g., in the k dependence of the energy bands or the total energy vs lattice constant.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.