메뉴 건너뛰기




Volumn 66, Issue 23, 2002, Pages 2351161-23511613

Momentum distribution of the uniform electron gas: Improved parametrization and exact limits of the cumulant expansion

Author keywords

[No Author keywords available]

Indexed keywords

ACCURACY; ARTICLE; CRYSTAL STRUCTURE; DENSITY; ELECTRON; ENERGY; GAS; KINETICS; MATHEMATICAL ANALYSIS; MONTE CARLO METHOD; QUANTUM MECHANICS; WAVEFORM;

EID: 0037116088     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article
Times cited : (59)

References (92)
  • 9
    • 0003754095 scopus 로고
    • edited by P. Ziesche and H. Eschrig (Akademie Verlag, Berlin)
    • J. P. Perdew, in Electronic Structure of Solids '91, edited by P. Ziesche and H. Eschrig (Akademie Verlag, Berlin, 1991); J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996); 78, 1396 (1997).
    • (1991) Electronic Structure of Solids '91
    • Perdew, J.P.1
  • 10
    • 4243943295 scopus 로고    scopus 로고
    • J. P. Perdew, in Electronic Structure of Solids '91, edited by P. Ziesche and H. Eschrig (Akademie Verlag, Berlin, 1991); J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996); 78, 1396 (1997).
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 11
    • 4944232881 scopus 로고    scopus 로고
    • J. P. Perdew, in Electronic Structure of Solids '91, edited by P. Ziesche and H. Eschrig (Akademie Verlag, Berlin, 1991); J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996); 78, 1396 (1997).
    • (1997) Phys. Rev. Lett. , vol.78 , pp. 1396
  • 17
    • 85035319745 scopus 로고    scopus 로고
    • J. P. Perdew and Y. Wang, Phys. Rev. B 46, 12 947 (1992); 56, 7018 (1997).
    • (1997) Phys. Rev. B , vol.56 , pp. 7018
  • 19
    • 0007212350 scopus 로고    scopus 로고
    • P. Gori-Giorgi, F. Sacchetti, and G. B. Bachelet, Phys. Rev. B 61, 7353 (2000); 75, 159901(E) (2002).
    • (2002) Phys. Rev. B , vol.75
  • 23
    • 3343017610 scopus 로고
    • S. Moroni, D. M. Ceperley, and G. Senatore, Phys. Rev. Lett. 69, 1837 (1992); 75, 689 (1995).
    • (1995) Phys. Rev. Lett. , vol.75 , pp. 689
  • 30
  • 34
    • 4243793709 scopus 로고
    • L. Lam and P. M. Platzman, Phys. Rev. B 9, 5122 (1974); G. E. W. Bauer, ibid. 27, 5912 (1983); G. E. W. Bauer and J. R. Schneider, Phys. Rev. Lett. 52, 2061 (1984); A. Görling, M. Levy, and J. P. Perdew, Phys. Rev. B 47, 1167 (1993); S. Huotari et al., ibid. 66, 085104 (2002).
    • (1974) Phys. Rev. B , vol.9 , pp. 5122
    • Lam, L.1    Platzman, P.M.2
  • 35
    • 27144502832 scopus 로고
    • L. Lam and P. M. Platzman, Phys. Rev. B 9, 5122 (1974); G. E. W. Bauer, ibid. 27, 5912 (1983); G. E. W. Bauer and J. R. Schneider, Phys. Rev. Lett. 52, 2061 (1984); A. Görling, M. Levy, and J. P. Perdew, Phys. Rev. B 47, 1167 (1993); S. Huotari et al., ibid. 66, 085104 (2002).
    • (1983) Phys. Rev. B , vol.27 , pp. 5912
    • Bauer, G.E.W.1
  • 36
    • 0000052972 scopus 로고
    • L. Lam and P. M. Platzman, Phys. Rev. B 9, 5122 (1974); G. E. W. Bauer, ibid. 27, 5912 (1983); G. E. W. Bauer and J. R. Schneider, Phys. Rev. Lett. 52, 2061 (1984); A. Görling, M. Levy, and J. P. Perdew, Phys. Rev. B 47, 1167 (1993); S. Huotari et al., ibid. 66, 085104 (2002).
    • (1984) Phys. Rev. Lett. , vol.52 , pp. 2061
    • Bauer, G.E.W.1    Schneider, J.R.2
  • 37
    • 0001547985 scopus 로고
    • L. Lam and P. M. Platzman, Phys. Rev. B 9, 5122 (1974); G. E. W. Bauer, ibid. 27, 5912 (1983); G. E. W. Bauer and J. R. Schneider, Phys. Rev. Lett. 52, 2061 (1984); A. Görling, M. Levy, and J. P. Perdew, Phys. Rev. B 47, 1167 (1993); S. Huotari et al., ibid. 66, 085104 (2002).
    • (1993) Phys. Rev. B , vol.47 , pp. 1167
    • Görling, A.1    Levy, M.2    Perdew, J.P.3
  • 38
    • 0037104424 scopus 로고    scopus 로고
    • L. Lam and P. M. Platzman, Phys. Rev. B 9, 5122 (1974); G. E. W. Bauer, ibid. 27, 5912 (1983); G. E. W. Bauer and J. R. Schneider, Phys. Rev. Lett. 52, 2061 (1984); A. Görling, M. Levy, and J. P. Perdew, Phys. Rev. B 47, 1167 (1993); S. Huotari et al., ibid. 66, 085104 (2002).
    • (2002) Phys. Rev. B , vol.66 , pp. 085104
    • Huotari, S.1
  • 40
    • 0001528535 scopus 로고
    • Sov. Phys. JETP 13, 946 (1961)
    • I. O. Kulik, Zh. Éksp. Teor. Fiz. 40, 1343 (1961) [Sov. Phys. JETP 13, 946 (1961)].
    • (1961) Zh. Éksp. Teor. Fiz. , vol.40 , pp. 1343
    • Kulik, I.O.1
  • 43
    • 33646627574 scopus 로고    scopus 로고
    • private communication
    • Y. Takada (private communication), on the basis of the method described in Ref. 33.
    • Takada, Y.1
  • 45
    • 33744664168 scopus 로고    scopus 로고
    • G. Ortiz and P. Ballone, Phys. Rev. B 50, 1391 (1994); 56, 9970 (1997).
    • (1997) Phys. Rev. B , vol.56 , pp. 9970
  • 49
    • 33646628747 scopus 로고    scopus 로고
    • note
    • 3He (Ref. 45); the authors also extracted the Fermi edge coefficient A of Eqs. (6) and (7) from QMC simulations. At the equilibrium density, they found A = 0.06(2).
  • 50
    • 33646634305 scopus 로고    scopus 로고
    • private communication
    • J. Cioslowski (private communication).
    • Cioslowski, J.1
  • 51
    • 0003996281 scopus 로고
    • Deuticke, Leipzig
    • H. Hellmann, Einführung in die Quantenchemie (Deuticke, Leipzig, 1937), pp. 61 and 285. The original Russian version is G. Gel'man, Quantenchemie (ONTI, Moscow, 1936), p. 428; R. P. Feynman, Phys. Rev. 56, 340 (1939). What usually is referred to as Hellmann-Feynman theorem has been first formulated by P. Güttinger, Z. Phys. 73, 169 (1932), see Eq. (11). This result is already implicitly contained in Eq. (28) of M. Born and V. Fock, ibid. 51, 165 (1928). Whereas in these papers any parameter is considered, Hellmann and later Feynman explicitly referred to the special case of nuclear coordinates within the Born-Oppenheimer approximation, leading to the "Hellmann-Feynman" forces upon nuclei. Within perturbation theory, the theorem was already given by E. Schrödinger, Ann. Phys. (Leipzig) 80, 437 (1926). Thus the theorem is due to Schrödinger, Born, Fock, Göttinger, Hellmann, and Feynman.
    • (1937) Einführung in die Quantenchemie , pp. 61
    • Hellmann, H.1
  • 52
    • 0013007999 scopus 로고
    • ONTI, Moscow
    • H. Hellmann, Einführung in die Quantenchemie (Deuticke, Leipzig, 1937), pp. 61 and 285. The original Russian version is G. Gel'man, Quantenchemie (ONTI, Moscow, 1936), p. 428; R. P. Feynman, Phys. Rev. 56, 340 (1939). What usually is referred to as Hellmann-Feynman theorem has been first formulated by P. Güttinger, Z. Phys. 73, 169 (1932), see Eq. (11). This result is already implicitly contained in Eq. (28) of M. Born and V. Fock, ibid. 51, 165 (1928). Whereas in these papers any parameter is considered, Hellmann and later Feynman explicitly referred to the special case of nuclear coordinates within the Born-Oppenheimer approximation, leading to the "Hellmann-Feynman" forces upon nuclei. Within perturbation theory, the theorem was already given by E. Schrödinger, Ann. Phys. (Leipzig) 80, 437 (1926). Thus the theorem is due to Schrödinger, Born, Fock, Göttinger, Hellmann, and Feynman.
    • (1936) Quantenchemie , pp. 428
    • Gel'man, G.1
  • 53
    • 34547564932 scopus 로고
    • H. Hellmann, Einführung in die Quantenchemie (Deuticke, Leipzig, 1937), pp. 61 and 285. The original Russian version is G. Gel'man, Quantenchemie (ONTI, Moscow, 1936), p. 428; R. P. Feynman, Phys. Rev. 56, 340 (1939). What usually is referred to as Hellmann-Feynman theorem has been first formulated by P. Güttinger, Z. Phys. 73, 169 (1932), see Eq. (11). This result is already implicitly contained in Eq. (28) of M. Born and V. Fock, ibid. 51, 165 (1928). Whereas in these papers any parameter is considered, Hellmann and later Feynman explicitly referred to the special case of nuclear coordinates within the Born-Oppenheimer approximation, leading to the "Hellmann-Feynman" forces upon nuclei. Within perturbation theory, the theorem was already given by E. Schrödinger, Ann. Phys. (Leipzig) 80, 437 (1926). Thus the theorem is due to Schrödinger, Born, Fock, Göttinger, Hellmann, and Feynman.
    • (1939) Phys. Rev. , vol.56 , pp. 340
    • Feynman, R.P.1
  • 54
    • 34250917209 scopus 로고
    • see Eq. (11)
    • H. Hellmann, Einführung in die Quantenchemie (Deuticke, Leipzig, 1937), pp. 61 and 285. The original Russian version is G. Gel'man, Quantenchemie (ONTI, Moscow, 1936), p. 428; R. P. Feynman, Phys. Rev. 56, 340 (1939). What usually is referred to as Hellmann-Feynman theorem has been first formulated by P. Güttinger, Z. Phys. 73, 169 (1932), see Eq. (11). This result is already implicitly contained in Eq. (28) of M. Born and V. Fock, ibid. 51, 165 (1928). Whereas in these papers any parameter is considered, Hellmann and later Feynman explicitly referred to the special case of nuclear coordinates within the Born-Oppenheimer approximation, leading to the "Hellmann-Feynman" forces upon nuclei. Within perturbation theory, the theorem was already given by E. Schrödinger, Ann. Phys. (Leipzig) 80, 437 (1926). Thus the theorem is due to Schrödinger, Born, Fock, Göttinger, Hellmann, and Feynman.
    • (1932) Z. Phys. , vol.73 , pp. 169
    • Güttinger, P.1
  • 55
    • 34250915197 scopus 로고
    • H. Hellmann, Einführung in die Quantenchemie (Deuticke, Leipzig, 1937), pp. 61 and 285. The original Russian version is G. Gel'man, Quantenchemie (ONTI, Moscow, 1936), p. 428; R. P. Feynman, Phys. Rev. 56, 340 (1939). What usually is referred to as Hellmann-Feynman theorem has been first formulated by P. Güttinger, Z. Phys. 73, 169 (1932), see Eq. (11). This result is already implicitly contained in Eq. (28) of M. Born and V. Fock, ibid. 51, 165 (1928). Whereas in these papers any parameter is considered, Hellmann and later Feynman explicitly referred to the special case of nuclear coordinates within the Born-Oppenheimer approximation, leading to the "Hellmann-Feynman" forces upon nuclei. Within perturbation theory, the theorem was already given by E. Schrödinger, Ann. Phys. (Leipzig) 80, 437 (1926). Thus the theorem is due to Schrödinger, Born, Fock, Göttinger, Hellmann, and Feynman.
    • (1928) Z. Phys. , vol.51 , pp. 165
    • Born, M.1    Fock, V.2
  • 56
    • 84978238358 scopus 로고
    • H. Hellmann, Einführung in die Quantenchemie (Deuticke, Leipzig, 1937), pp. 61 and 285. The original Russian version is G. Gel'man, Quantenchemie (ONTI, Moscow, 1936), p. 428; R. P. Feynman, Phys. Rev. 56, 340 (1939). What usually is referred to as Hellmann-Feynman theorem has been first formulated by P. Güttinger, Z. Phys. 73, 169 (1932), see Eq. (11). This result is already implicitly contained in Eq. (28) of M. Born and V. Fock, ibid. 51, 165 (1928). Whereas in these papers any parameter is considered, Hellmann and later Feynman explicitly referred to the special case of nuclear coordinates within the Born-Oppenheimer approximation, leading to the "Hellmann-Feynman" forces upon nuclei. Within perturbation theory, the theorem was already given by E. Schrödinger, Ann. Phys. (Leipzig) 80, 437 (1926). Thus the theorem is due to Schrödinger, Born, Fock, Göttinger, Hellmann, and Feynman.
    • (1926) Ann. Phys. (Leipzig) , vol.80 , pp. 437
    • Schrödinger, E.1
  • 66
    • 33646608875 scopus 로고    scopus 로고
    • note
    • s)]. The lowest-order exchange diagram (Ref. 48) repairs this, see Figs. 1(c) and 1(f) of Ref. 24.
  • 71
    • 0000184980 scopus 로고    scopus 로고
    • M. Seidl, J. P. Perdew, and S. Kurth, Phys. Rev. A 62, 012502 (2000); Phys. Rev. Lett. 84, 5070 (2000).
    • (2000) Phys. Rev. Lett. , vol.84 , pp. 5070
  • 75
    • 33646619799 scopus 로고    scopus 로고
    • note
    • s + ⋯ obviously contradicts Collins' conjecture "correlation entropy is of the order of magnitude of correlation energy" (Refs. 57 and 60).
  • 77
    • 0000057792 scopus 로고
    • M. B. Ruskai, J. Math. Phys. 11, 3218 (1970); K. Yasuda, Phys. Rev. A 63, 032517 (2001).
    • (1970) J. Math. Phys. , vol.11 , pp. 3218
    • Ruskai, M.B.1
  • 78
    • 33646204489 scopus 로고    scopus 로고
    • M. B. Ruskai, J. Math. Phys. 11, 3218 (1970); K. Yasuda, Phys. Rev. A 63, 032517 (2001).
    • (2001) Phys. Rev. A , vol.63 , pp. 032517
    • Yasuda, K.1
  • 82
    • 0002711818 scopus 로고    scopus 로고
    • edited by A. Gonis, N. Kioussis, and M. Ciftan (Kluwer/Plenum, New York)
    • P. Ziesche, in Electron Correlations and Materials Properties, edited by A. Gonis, N. Kioussis, and M. Ciftan (Kluwer/Plenum, New York, 1999), p. 361.
    • (1999) Electron Correlations and Materials Properties , pp. 361
    • Ziesche, P.1
  • 86
    • 33646598564 scopus 로고
    • R. A. Coldwell-Horsfall and A. A. Maradudin, J. Math. Phys. 1, 395 (1960); 4, 582 (1963).
    • (1963) J. Math. Phys. , vol.4 , pp. 582
  • 89
    • 33646625141 scopus 로고
    • Diploma thesis, Dresden, cf. Ref. 74
    • G. Diener, Diploma thesis, Dresden, 1961, cf. Ref. 74 p. 19.
    • (1961) , pp. 19
    • Diener, G.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.