TOMBO Ver.2 Manual
TOMBO
TOMBO
Create successful ePaper yourself
Turn your PDF publications into a flip-book with our unique Google optimized e-Paper software.
References 62<br />
[12] M. S. Bahrany, M. H. F.. Sluiter, and Y. Kawazoe. First-principles calculations of hyperfine<br />
parameters with the all-electron mixed-basis method. Phys. Rev. B, 73:045111,<br />
2006.<br />
[13] E. Runge and E. K. U. Gross. Density-functional theory for time-dependent systems.<br />
Phys. Rev. Lett., 52(12):997, 1984.<br />
[14] U. Saalmann and R. Schmidt. Non-adiabatic quantum molecular dynamics: basic<br />
formalism and case study. Z. Phys. D, 38:153, 1996.<br />
[15] T. Sawada and K. Ohno. Time-dependent density functional approach to chemical<br />
reactions induced by electronic double excitations. Chem. Phys. Lett., 405:234, 2005.<br />
[16] R. W. Godby, M. Schlüter, and L. J. Sham. Self-energy operators and exchangecorrelation<br />
potentials in semiconductors. Phys. Rev. B, 37:10159–10175, 1988.<br />
[17] L. Hedin. New method for calculating the one-particle Green’s function with application<br />
to the electron-gas problem. Phys. Rev., 139(3A):A796–A823, 1965.<br />
[18] L. Hedin and S. Lundqvist. Effects of electron-electron and electron-phonon interactions<br />
on the one-electron states of solids. volume 23 of Solid State Physics, pages 1 –<br />
181. Academic Press, 1970.<br />
[19] M. S. Hybertsen and S. G. Louie. Electron correlation in semiconductors and insulators:<br />
Band gaps and quasiparticle energies. Phys. Rev. B, 34(8):5390–5413, 1986.<br />
[20] K. Ohno, K. Esfarjani, and Y. Kawazoe. Computational materials science: from ab<br />
initio to Monte Carlo methods, volume 129. Springer-Verlag, Berlin and Heidelberg,<br />
1999; see Fig. 2.23 on p.113.<br />
[21] M. S. Hybertsen and S. G. Louie. Theory of quasiparticle surface states in semiconductor<br />
surfaces. Phys. Rev. B, 38:4033–4044, Aug 1988.<br />
[22] R. W. Godby, M. Schlüter, and L. J. Sham. Accurate exchange-correlation potential for<br />
silicon and its discontinuity on addition of an electron. Phys. Rev. Lett., 56:2415–2418,<br />
Jun 1986.<br />
[23] R. W. Godby, M. Schlüter, and L. J. Sham. Quasiparticle energies in GaAs and AlAs.<br />
Phys. Rev. B, 35:4170–4171, Mar 1987.<br />
[24] R. W. Godby, M. Schlüter, and L. J. Sham. Trends in self-energy operators and their<br />
corresponding exchange-correlation potentials. Phys. Rev. B, 36:6497–6500, Oct 1987.<br />
[25] S. Ishii and K. Ohno. Full-ω integration GW calculation of Ne atom. unpublished.<br />
[26] M. Zhang, S. Ono, and K. Ohno. All-electron GW calculation of rutile tio 2 with and<br />
without nb impurities. Phys. Rev. B, 92(1):035205;1–7, 2015.<br />
[27] J. P. Perdew and Alex Zunger. Self-interaction correction to density-functional approximations<br />
for many-electron systems. Phys. Rev. B, 23:5048–5079, 1981.