Fundamentals Of Time Dependent Density Functional Theory

Author: Miguel A.L. Marques
Publisher: Springer Science & Business Media
ISBN: 3642235182
Size: 47.40 MB
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This book, as successor to the highly successful volume Time-Dependent Density Functional Theory (Lect. Notes Phys. 706, 2006) brings together for the first time all recent developments in a systematic and coherent way.

Time Dependent Density Functional Theory

Author: Miguel Marques
Publisher: Springer Science & Business Media
ISBN: 3540354220
Size: 22.27 MB
Format: PDF
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Not only did we celebrate the 40th - niversary of the Hohenberg-Kohn paper, which had laid the foundation for ground-state density functional theory (DFT), but it was also the 20th - niversary of the work by Runge and Gross, establishing a ...

Time Dependent Density Functional Theory

Author: Carsten Ullrich
Publisher: Oxford University Press
ISBN: 0199563020
Size: 10.26 MB
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Time-dependent density functional theory, by M. A. L. Marques and E. K. U. Gross
, Annu. Rev. Phys. Chem., 55, 427–55 (2004). Time-dependent density functional
theory: Past, present, and future, by K. Burke, J. Werschnik, and E. K. U. Gross, J.
Chem. Phys., 123, 062206- 1–9 (2005). Time-Dependent Density Functional
Theory, Lecture Notes in Physics, Vol. 706, edited by M. A. L. Marques, C. A.
Ullrich, F. Nogueira, A. Rubio, K. Burke, and E. K. U. Gross (Springer, Berlin,
2006).

Density Functional Methods For Excited States

Author: Nicolas Ferré
Publisher: Springer
ISBN: 3319220810
Size: 57.74 MB
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In: Marques M, Maitra N, Noguiera F, Gross EKU, Rubio A (eds) Fundamentals of
time-dependent density-functional theory, Lecture Notes in Physics, vol837.
Springer, Berlin, p 279 8. Casida ME, Huix-Rotllant M (2012) Progress in time-
dependent density-functional theory. Annu Rev Phys Chem 63:287 9. Hohenberg
P, Kohn W (1964) Inhomogenous electron gas. Phys Rev 136:B864 10. Kohn W,
Sham LJ (1965) Self-consistent equations including exchange and correlation
effects.

Computational Methods In Catalysis And Materials Science

Author: Rutger A. van Santen
Publisher: John Wiley & Sons
ISBN: 3527802665
Size: 49.28 MB
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K. Burke and E. K. U. Gross, A guided tour of time-dependent density functional
theory, in Density Functionals: Theory and Applications, edited by D. Joubert,
volume 500 of Springer Lecture Notes in Physics, pp. 116–146, Springer, Berlin,
1998. R. van Leeuwen, Key concepts in time-dependent density-functional theory
, Int. J. Mod. Phys. B 15, 1969 (2001). G. te Velde et al., Chemistry with adf, J.
Comput. Chem. 22, 931 (2001). 29 N.T.Maitra,K.Burke,H.Appel, E. K.U. Gross,
and R. van ...

Theory And Applications In Mathematical Physics

Author: Elena Agliari
Publisher: World Scientific
ISBN: 9814713295
Size: 63.34 MB
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R.G. Parr, W. Yang, Density Functional Theory of Atoms and Molecules, Oxford
University Press (1989). 5. C.A. Ullrich, Time Dependent Density Functional
Theory: Concept and Applications, Oxford University Press (2012). 6.
Fundamentals of Time-Dependent Density Functional Theory, Eds. M.A.L.
Marques, N.T. Maitra, F.M.S. Nogueira, E.K.U. Gross, A. Rubio, Lecture Notes in
Physics, Vol. 837, Springer–Verlag (2012). 7. G.F. Giuliani and G. Vignale,
Quantum Theory of the Electron ...

Electronic Structure Calculations On Graphics Processing Units

Author: Andreas W. Goetz
Publisher: John Wiley & Sons
ISBN: 1118661788
Size: 48.14 MB
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67. Saad, Y., Stathopoulos, A., Chelikowsky, J., Wu, K. and Öˆgüt, S. (1996)
Solution of large eigenvalue problems in electronic structure calculations. BIT
Numer. Math., 36,563–578. 68. Runge, E. and Gross, E.K.U. (1984) Density-
functional theory for time-dependent systems. Phys. Rev. Lett., 52, 997–1000. 69.
Maitra, N.T. (2012) Memory: history, initial-state dependence, and double-
excitations, in Fundamentals of Time-Dependent Density Functional Theory,
Lecture Notes in Physics ...

Ab Initio Calculations Of Spin Wave Excitation Spectra From Time Dependent Density Functional Theory

Author: Manfred Niesert
Publisher: Forschungszentrum Jülich
ISBN: 3893367861
Size: 14.47 MB
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Time-Dependent Density Functional Theory, volume 706 of Lecture Notes in
Physics. Springer-Verlag, 2006. Citation on pages 19 and 21. H.A. Mook, J.W.
Lynn, and M.R. Nicklow. Phys. Rev. Lett., 30:30, 1973. Citation on page 122. T.
Moriya. Spin Fluctuations in Itinerant Electron Magnetism. Springer Series in
SolidState Sciences. Springer-Verlag, 1985. Citation on pages 65 and 137. H. A.
Mook and D. McK. Paul. Neutron-scattering measurement of the spin-wave
spectra for nickel.

First Principles Approaches To Spectroscopic Properties Of Complex Materials

Author: Cristiana Di Valentin
Publisher: Springer
ISBN: 3642550681
Size: 13.68 MB
Format: PDF
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Phys Rev B 45:13244 Yin MT, Cohen ML (1980) Microscopic theory of the phase
transformation and lattice dynamics of Si. Phys Rev Lett 45:1004 Marques MAL,
Maitra NT, Noqueira FMS, Gross EKU, Rubio A (eds) (2012) Fundamentals of
time-dependent density functional theory, vol 837, Lecture Notes in Physics.
Springer, Berlin Ullrich C (2012) Time-dependent density-functional theory:
concepts and applications. Oxford University Press, Oxford Burke K, Werschnik J,
Gross EKU ...