700 related articles for article (PubMed ID: 21033777)
1. Ab initio calculations of optical absorption spectra: solution of the Bethe-Salpeter equation within density matrix perturbation theory.
Rocca D; Lu D; Galli G
J Chem Phys; 2010 Oct; 133(16):164109. PubMed ID: 21033777
[TBL] [Abstract][Full Text] [Related]
2. Ab Initio Optoelectronic Properties of Silicon Nanoparticles: Excitation Energies, Sum Rules, and Tamm-Dancoff Approximation.
Rocca D; Vörös M; Gali A; Galli G
J Chem Theory Comput; 2014 Aug; 10(8):3290-8. PubMed ID: 26588298
[TBL] [Abstract][Full Text] [Related]
3. Near-edge structures from first principles all-electron Bethe-Salpeter equation calculations.
Olovsson W; Tanaka I; Puschnig P; Ambrosch-Draxl C
J Phys Condens Matter; 2009 Mar; 21(10):104205. PubMed ID: 21817425
[TBL] [Abstract][Full Text] [Related]
4. Quasiparticle electronic structure and optical absorption of diamond nanoparticles from ab initio many-body perturbation theory.
Yin H; Ma Y; Hao X; Mu J; Liu C; Yi Z
J Chem Phys; 2014 Jun; 140(21):214315. PubMed ID: 24908016
[TBL] [Abstract][Full Text] [Related]
5. Potential energy surfaces and dynamics of Ni2+ ion aqueous solution: molecular dynamics simulation of the electronic absorption spectrum.
Iuchi S; Morita A; Kato S
J Chem Phys; 2004 Nov; 121(17):8446-57. PubMed ID: 15511168
[TBL] [Abstract][Full Text] [Related]
6. Exciting: a full-potential all-electron package implementing density-functional theory and many-body perturbation theory.
Gulans A; Kontur S; Meisenbichler C; Nabok D; Pavone P; Rigamonti S; Sagmeister S; Werner U; Draxl C
J Phys Condens Matter; 2014 Sep; 26(36):363202. PubMed ID: 25135665
[TBL] [Abstract][Full Text] [Related]
7. Excited state geometry optimizations by analytical energy gradient of long-range corrected time-dependent density functional theory.
Chiba M; Tsuneda T; Hirao K
J Chem Phys; 2006 Apr; 124(14):144106. PubMed ID: 16626179
[TBL] [Abstract][Full Text] [Related]
8. First-principles T-matrix calculations of double-ionization energy spectra of atoms and molecules.
Noguchi Y; Kudo Y; Ishii S; Ohno K
J Chem Phys; 2005 Oct; 123(14):144112. PubMed ID: 16238379
[TBL] [Abstract][Full Text] [Related]
9. Resonance Raman spectra of uracil based on Kramers-Kronig relations using time-dependent density functional calculations and multireference perturbation theory.
Neugebauer J; Hess BA
J Chem Phys; 2004 Jun; 120(24):11564-77. PubMed ID: 15268191
[TBL] [Abstract][Full Text] [Related]
10. Koopmans Meets Bethe-Salpeter: Excitonic Optical Spectra without GW.
Elliott JD; Colonna N; Marsili M; Marzari N; Umari P
J Chem Theory Comput; 2019 Jun; 15(6):3710-3720. PubMed ID: 30998361
[TBL] [Abstract][Full Text] [Related]
11. Ab initio study of a Bi3+ impurity in Cs2NaYCl6 and Y2O3: comparison of perturbative and variational electron correlation methods.
Réal F; Vallet V; Flament JP; Schamps J
J Chem Phys; 2006 Nov; 125(17):174709. PubMed ID: 17100463
[TBL] [Abstract][Full Text] [Related]
12. Time-dependent density functional theory versus Bethe-Salpeter equation: an all-electron study.
Sagmeister S; Ambrosch-Draxl C
Phys Chem Chem Phys; 2009 Jun; 11(22):4451-7. PubMed ID: 19475162
[TBL] [Abstract][Full Text] [Related]
13. Excited states properties of organic molecules: from density functional theory to the GW and Bethe-Salpeter Green's function formalisms.
Faber C; Boulanger P; Attaccalite C; Duchemin I; Blase X
Philos Trans A Math Phys Eng Sci; 2014 Mar; 372(2011):20130271. PubMed ID: 24516185
[TBL] [Abstract][Full Text] [Related]
14. Time-dependent quasirelativistic density-functional theory based on the zeroth-order regular approximation.
Peng D; Zou W; Liu W
J Chem Phys; 2005 Oct; 123(14):144101. PubMed ID: 16238368
[TBL] [Abstract][Full Text] [Related]
15. Excitations, optical absorption spectra, and optical excitonic gaps of heterofullerenes. I. C60, C59N+, and C48N12: theory and experiment.
Xie RH; Bryant GW; Sun G; Nicklaus MC; Heringer D; Frauenheim T; Manaa MR; Smith VH; Araki Y; Ito O
J Chem Phys; 2004 Mar; 120(11):5133-47. PubMed ID: 15267383
[TBL] [Abstract][Full Text] [Related]
16. The Be K-edge in beryllium oxide and chalcogenides: soft x-ray absorption spectra from first-principles theory and experiment.
Olovsson W; Weinhardt L; Fuchs O; Tanaka I; Puschnig P; Umbach E; Heske C; Draxl C
J Phys Condens Matter; 2013 Aug; 25(31):315501. PubMed ID: 23835492
[TBL] [Abstract][Full Text] [Related]
17. Many-body Green's function GW and Bethe-Salpeter study of the optical excitations in a paradigmatic model dipeptide.
Faber C; Boulanger P; Duchemin I; Attaccalite C; Blase X
J Chem Phys; 2013 Nov; 139(19):194308. PubMed ID: 24320327
[TBL] [Abstract][Full Text] [Related]
18. Finite-Field Approach to Solving the Bethe-Salpeter Equation.
Nguyen NL; Ma H; Govoni M; Gygi F; Galli G
Phys Rev Lett; 2019 Jun; 122(23):237402. PubMed ID: 31298883
[TBL] [Abstract][Full Text] [Related]
19. Quasienergy formulation of damped response theory.
Kristensen K; Kauczor J; Kjaergaard T; Jørgensen P
J Chem Phys; 2009 Jul; 131(4):044112. PubMed ID: 19655842
[TBL] [Abstract][Full Text] [Related]
20. Ab initio electron propagators in molecules with strong electron-phonon interaction: II. Electron Green's function.
Dahnovsky Y
J Chem Phys; 2007 Jul; 127(1):014104. PubMed ID: 17627334
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]