메뉴 건너뛰기




Volumn 36, Issue 1-2, 2006, Pages 125-129

First-principles calculations of optical absorption spectra of atoms in the vacuum and crystals

Author keywords

Bethe Salpeter equation; First principles; Many body perturbation theory; Optical absorption spectra; Quasiparticle energy

Indexed keywords

CRYSTALLINE MATERIALS; EXCITONS; OPTICAL PROPERTIES; PROBABILITY DENSITY FUNCTION; VACUUM;

EID: 33645032298     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2005.01.017     Document Type: Conference Paper
Times cited : (7)

References (19)
  • 1
    • 0011757587 scopus 로고    scopus 로고
    • Ab initio computer simulations on microclusters: Structures and electronic properties
    • Y. Kawazoe T. Kondow K. Ohno Springer-Verlag Berlin, Heidelberg
    • V. Kumar, K. Esfarjani, and Y. Kawazoe Ab initio computer simulations on microclusters: structures and electronic properties Y. Kawazoe T. Kondow K. Ohno Clusters and Nanomaterials: Theory and Experiment 2002 Springer-Verlag Berlin, Heidelberg 9 88
    • (2002) Clusters and Nanomaterials: Theory and Experiment , pp. 9-88
    • Kumar, V.1    Esfarjani, K.2    Kawazoe, Y.3
  • 2
    • 36149016819 scopus 로고
    • New method for calculating the one-particle green's function with application to the electron-gas problem
    • L. Hedin New method for calculating the one-particle green's function with application to the electron-gas problem Phys. Rev. 139 1965 A796 A823
    • (1965) Phys. Rev. , vol.139
    • Hedin, L.1
  • 3
    • 25544479230 scopus 로고
    • Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies
    • M.S. Hybertsen, and S.G. Louie Electron correlation in semiconductors and insulators: band gaps and quasiparticle energies Phys. Rev. B 36 1986 5390 5413
    • (1986) Phys. Rev. B , vol.36 , pp. 5390-5413
    • Hybertsen, M.S.1    Louie, S.G.2
  • 4
    • 33748908357 scopus 로고
    • Self-energy operators and exchange-correlation potentials in semiconductors
    • R.W. Godby, M. Schlüter, and L.J. Sham Self-energy operators and exchange-correlation potentials in semiconductors Phys. Rev. B 37 1988 10159 10175
    • (1988) Phys. Rev. B , vol.37 , pp. 10159-10175
    • Godby, R.W.1    Schlüter, M.2    Sham, L.J.3
  • 5
    • 0032070791 scopus 로고    scopus 로고
    • Ab initio calculation of excitonic effects in the optical spectra of semiconductors
    • S. Albrecht, L. Reining, R.D. Sole, and G. Onida Ab initio calculation of excitonic effects in the optical spectra of semiconductors Phys. Rev. Lett. 80 1998 4510 4513
    • (1998) Phys. Rev. Lett. , vol.80 , pp. 4510-4513
    • Albrecht, S.1    Reining, L.2    Sole, R.D.3    Onida, G.4
  • 6
    • 11744322252 scopus 로고    scopus 로고
    • Excitonic effects and the optical absorption spectrum of hydrogenated Si clusters
    • M. Rohlfing, and S.G. Louie Excitonic effects and the optical absorption spectrum of hydrogenated Si clusters Phys. Rev. Lett. 80 1998 3320 3323
    • (1998) Phys. Rev. Lett. , vol.80 , pp. 3320-3323
    • Rohlfing, M.1    Louie, S.G.2
  • 7
    • 9444281897 scopus 로고    scopus 로고
    • Computational materials science: From ab initio to monte carlo methods
    • Springer-Verlag Berlin, Heidelberg
    • K. Ohno, K. Esfarjani, and Y. Kawazoe Computational materials science: from ab initio to monte carlo methods Springer Series on Solid-State Sciences vol. 129 1999 Springer-Verlag Berlin, Heidelberg
    • (1999) Springer Series on Solid-State Sciences , vol.129
    • Ohno, K.1    Esfarjani, K.2    Kawazoe, Y.3
  • 8
    • 0034895694 scopus 로고    scopus 로고
    • Ab initio GW quasiparticle energies of small sodium clusters by an all-electron mixed-basis approach
    • S. Ishii, K. Ohno, Y. Kawazoe, and S.G. Louie Ab initio GW quasiparticle energies of small sodium clusters by an all-electron mixed-basis approach Phys. Rev. B 63 2001 1 6 155104
    • (2001) Phys. Rev. B , vol.63 , pp. 1-6
    • Ishii, S.1    Ohno, K.2    Kawazoe, Y.3    Louie, S.G.4
  • 9
    • 0037098446 scopus 로고    scopus 로고
    • Ab initio GW quasiparticle calculation of small alkali-metal clusters
    • S. Ishii, K. Ohno, Y. Kawazoe, and S.G. Louie Ab initio GW quasiparticle calculation of small alkali-metal clusters Phys. Rev. B 65 2002 1 6 245109
    • (2002) Phys. Rev. B , vol.65 , pp. 1-6
    • Ishii, S.1    Ohno, K.2    Kawazoe, Y.3    Louie, S.G.4
  • 10
    • 3342877792 scopus 로고    scopus 로고
    • Breakdown of time-reversal symmetry of photo-emission and its inverse in small silicon clusters
    • S. Ishii, K. Ohno, V. Kumar, and Y. Kawazoe Breakdown of time-reversal symmetry of photo-emission and its inverse in small silicon clusters Phys. Rev. B 68 2003 1 5 195412
    • (2003) Phys. Rev. B , vol.68 , pp. 1-5
    • Ishii, S.1    Ohno, K.2    Kumar, V.3    Kawazoe, Y.4
  • 11
    • 9444233378 scopus 로고    scopus 로고
    • 2 calculated by GW and Bethe-Salpeter equations
    • 2 calculated by GW and Bethe-Salpeter equations Sci. Tech. Adv. Mater. 5 2004 603 607
    • (2004) Sci. Tech. Adv. Mater. , vol.5 , pp. 603-607
    • Ohno, K.1
  • 12
    • 0002267268 scopus 로고    scopus 로고
    • Magnetic susceptibility of semiconductors by an all electron first-principle approach
    • K. Ohno, F. Mauri, and S.G. Louie Magnetic susceptibility of semiconductors by an all electron first-principle approach Phys. Rev. B 56 1997 1009 1012
    • (1997) Phys. Rev. B , vol.56 , pp. 1009-1012
    • Ohno, K.1    Mauri, F.2    Louie, S.G.3
  • 14
    • 0033309671 scopus 로고    scopus 로고
    • Dielectric response functions studied by an all-electron mixed-basis approach
    • S. Ishii, K. Ohno, and Y. Kawazoe Dielectric response functions studied by an all-electron mixed-basis approach Mater. Trans. JIM 40 1999 1209 1212
    • (1999) Mater. Trans. JIM , vol.40 , pp. 1209-1212
    • Ishii, S.1    Ohno, K.2    Kawazoe, Y.3
  • 16
    • 0000738509 scopus 로고
    • Effects of dynamical screening on resonances at inner-shell thresholds in semiconductors
    • G. Strinati Effects of dynamical screening on resonances at inner-shell thresholds in semiconductors Phys. Rev. B 29 1984 5718 5726
    • (1984) Phys. Rev. B , vol.29 , pp. 5718-5726
    • Strinati, G.1
  • 17
    • 4243810484 scopus 로고    scopus 로고
    • Electron-hole excitations and optical spectra from first principles
    • M. Rohlfing, and S.G. Louie Electron-hole excitations and optical spectra from first principles Phys. Rev. B 62 2000 4927 4944
    • (2000) Phys. Rev. B , vol.62 , pp. 4927-4944
    • Rohlfing, M.1    Louie, S.G.2
  • 18
    • 0345898423 scopus 로고
    • + impurity ions in alkali chlorides
    • + impurity ions in alkali chlorides J. Phys. Soc. Jpn. 50 1981 1570 1578
    • (1981) J. Phys. Soc. Jpn. , vol.50 , pp. 1570-1578
    • Nagasaka, S.1
  • 19
    • 33645017691 scopus 로고
    • + ions in alkali chlorides due to a charge-transfer excitation
    • + ions in alkali chlorides due to a charge-transfer excitation J. Phys. Soc. Jpn. 51 1982 898 905
    • (1982) J. Phys. Soc. Jpn. , vol.51 , pp. 898-905
    • Nagasaka, S.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.