Quantum-Mechanical Treatment of Responses to Electric Fields—Extended Systems
作者： Feng Long Gu , Yuriko Aoki , Michael Springborg , Bernard Kirtman
DOI: 10.1007/978-3-319-11068-4_3
关键词:
摘要: In this chapter we discuss the quantum-mechanical treatment of extended systems exposed to electric fields. Special emphasis is put on that are regular and so large they can be considered as being infinite periodic. Moreover, it demonstrated even linear responses static fields depend surfaces systems, although these need not included directly in calculations. Also perturbation-theoretical treatments non-linear oscillatory discussed. We consider both vector-potential scalar-potential
springer.com
sci-hub.st 参考文章(15)
David M. Bishop, Feng Long Gu, Bernard Kirtman, Coupled-perturbed Hartree–Fock theory for infinite periodic systems: Calculation of static electric properties of (LiH)n, (FH)n, (H2O)n, (–CNH–)n, and (–CH=CH–)n The Journal of Chemical Physics. ,vol. 114, pp. 7633- 7643 ,(2001) , 10.1063/1.1356019
Michael Springborg, Bernard Kirtman, How much can donor/acceptor-substitution change the responses of long push–pull systems to DC fields? Chemical Physics Letters. ,vol. 454, pp. 105- 113 ,(2008) , 10.1016/J.CPLETT.2008.01.078
Konstantin N. Kudin, Roberto Car, Raffaele Resta, Quantization of the dipole moment and of the end charges in push-pull polymers. Journal of Chemical Physics. ,vol. 127, pp. 194902- 194902 ,(2007) , 10.1063/1.2799514
Michael Springborg, Bernard Kirtman, Analysis of vector potential approach for calculating linear and nonlinear responses of infinite periodic systems to a finite static external electric field Physical Review B. ,vol. 77, pp. 045102- ,(2008) , 10.1103/PHYSREVB.77.045102
R. W. Nunes, Xavier Gonze, Berry-phase treatment of the homogeneous electric field perturbation in insulators Physical Review B. ,vol. 63, pp. 155107- ,(2001) , 10.1103/PHYSREVB.63.155107
Michael Springborg, Violina Tevekeliyska, Bernard Kirtman, Termination effects in electric field polarization of periodic quasi-one-dimensional systems Physical Review B. ,vol. 82, pp. 165442- ,(2010) , 10.1103/PHYSREVB.82.165442
Jorge Vargas, Michael Springborg, Building band structures for long finite chains in presence of an electric field Journal of Chemical Physics. ,vol. 137, pp. 144108- 144108 ,(2012) , 10.1063/1.4757118
David Vanderbilt, R. D. King-Smith, Electric polarization as a bulk quantity and its relation to surface charge Physical Review B. ,vol. 48, pp. 4442- 4455 ,(1993) , 10.1103/PHYSREVB.48.4442
Michael Springborg, Bernard Kirtman, Yi Dong, Electronic polarization in quasilinear chains Chemical Physics Letters. ,vol. 396, pp. 404- 409 ,(2004) , 10.1016/J.CPLETT.2004.08.067
R. D. King-Smith, David Vanderbilt, Theory of polarization of crystalline solids Physical Review B. ,vol. 47, pp. 1651- 1654 ,(1993) , 10.1103/PHYSREVB.47.1651