메뉴 건너뛰기




Volumn 66, Issue 19, 2002, Pages 1951071-1951078

X-ray absorption near-edge structure calculations with the pseudopotentials: Application to the K edge in diamond and α-quartz

Author keywords

[No Author keywords available]

Indexed keywords

CARBON; DIAMOND; OXYGEN; SILICON; SILICON DIOXIDE;

EID: 0037113703     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article
Times cited : (270)

References (56)
  • 13
    • 0000714457 scopus 로고
    • The transition term of the absorption cross section can be expressed as a product of an atomlike term (i.e., a radial matrix element), and a LDOS. This factorization is derived in Appendix B of J. E. Müller and J. W. Wilkins, Phys. Rev. B 29, 4331 (1984); and in Appendix A of D. A. Muller, D. J. Singh, and J. Silcox, ibid. 57, 8181 (1998).
    • (1984) Phys. Rev. B , vol.29 , pp. 4331
    • Müller, J.E.1    Wilkins, J.W.2
  • 19
    • 33646626769 scopus 로고    scopus 로고
    • Ph.D. thesis, University of Cambridge
    • Ch. J. Pickard, Ph.D. thesis, University of Cambridge, 1997.
    • (1997)
    • Pickard, Ch.J.1
  • 30
    • 33646625425 scopus 로고    scopus 로고
    • note
    • A natural choice for the all electron partial waves is the solutions of the radial Schrödinger equation for the isolated atom.
  • 40
    • 33646601311 scopus 로고    scopus 로고
    • (PARALLEL Total Energy Code) (Lawrence Berkeley National Laboratory, Berkeley, CA) (with contributions from F. Mauri, M. Cote, Y. Yoon, Ch. Pickard, and P. Haynes)
    • B. Pfrommer, D. Raczkowski, A. Canning, and S. G. Louie, Calculations were performed with computer code PARATEC (PARALLEL Total Energy Code) (Lawrence Berkeley National Laboratory, Berkeley, CA, 2002) (with contributions from F. Mauri, M. Cote, Y. Yoon, Ch. Pickard, and P. Haynes). For more information see www.nersc.gov/projects/paratec
    • (2002) Calculations were Performed with Computer Code PARATEC
    • Pfrommer, B.1    Raczkowski, D.2    Canning, A.3    Louie, S.G.4
  • 45
    • 33646628470 scopus 로고    scopus 로고
    • personal communication
    • J. J. Rehr (personal communication).
    • Rehr, J.J.1
  • 56
    • 33646619908 scopus 로고    scopus 로고
    • personal communication
    • V. Olevano (personal communication).
    • Olevano, V.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.