메뉴 건너뛰기




Volumn 55, Issue 17, 1997, Pages 11330-11341

Ab initio calculations for solid molecular hydrogen

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0000644764     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.55.11330     Document Type: Article
Times cited : (35)

References (112)
  • 1
    • 0024887085 scopus 로고
    • H.K. Mao and R.J. Hemley, Science 244, 1462 (1989).
    • (1989) Science , vol.244 , pp. 1462
    • Hemley, R.1
  • 19
  • 58
    • 0004322875 scopus 로고
    • F.-G. Mertens and W. Biem, Z. Phys. 250, 273 (1972).
    • (1972) Z. Phys. , vol.250 , pp. 273
    • Biem, W.1
  • 63
  • 65
    • 0039682810 scopus 로고    scopus 로고
    • A.E. Carlsson, in Solid State Physics, edited by H. Ehrenreich and D. Turnbull (Academic, New York, 1990), Vol. 43, p. 1.
    • Solid State Physics , vol.43 , pp. 1
    • Carlsson, A.1
  • 69
    • 0028391933 scopus 로고
    • the result is positive definite. [This paper is restricted to even-parity molecules in order to avoid the Monte Carlo sign problem, treated in E.L. Pollock and K.J. Runge, Physica B 197, 180 (1994).]
    • (1994) Physica B , vol.197 , pp. 180
    • Pollock, L.1    Runge, J.2
  • 73
    • 1842816907 scopus 로고
    • LDA calculations use a 1/r Coulomb potential for the electron-nucleus interaction. Electron wave functions are expanded in a basis of plane waves to 60 Ry. A 6×6×6 Monkhorst-Pack grid is used for the Brillouin zone sampling [see H.J. Monkhorst and J.D. Pack, Phys. Rev. B 13, 5188 (1976)]. Molecules are fixed at lattice sites and at 1.4 a.u. in length.
    • (1976) Phys. Rev. B , vol.13 , pp. 5188
    • Monkhorst, J.1    Pack, J.2
  • 84


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.