Time-dependent density functional theory applied to ligand-field excitations and their circular dichroism in some transition metal complexes (Unbekannt)
- Neue Suche nach: Rudolph, Mark
- Neue Suche nach: Rudolph, Mark
- Neue Suche nach: Ziegler, Tom
- Neue Suche nach: Autschbach, Jochen
In:
Chemical physics
;
391
, 1
; 92-101
;
2011
-
ISSN:
- Aufsatz (Zeitschrift) / Print
-
Titel:Time-dependent density functional theory applied to ligand-field excitations and their circular dichroism in some transition metal complexes
-
Beteiligte:
-
Erschienen in:Chemical physics ; 391, 1 ; 92-101
-
Verlag:
- Neue Suche nach: Elsevier
-
Erscheinungsort:Amsterdam [u.a.]
-
Erscheinungsdatum:2011
-
ISSN:
-
ZDBID:
-
Medientyp:Aufsatz (Zeitschrift)
-
Format:Print
-
Sprache:Unbekannt
- Neue Suche nach: 35.00 / 35.10
- Weitere Informationen zu Basisklassifikation
-
Schlagwörter:
-
Klassifikation:
-
Datenquelle:
Inhaltsverzeichnis – Band 391, Ausgabe 1
Zeige alle Jahrgänge und Ausgaben
Die Inhaltsverzeichnisse werden automatisch erzeugt und basieren auf den im Index des TIB-Portals verfügbaren Einzelnachweisen der enthaltenen Beiträge. Die Anzeige der Inhaltsverzeichnisse kann daher unvollständig oder lückenhaft sein.
- 1
-
Time-dependent density-functional and reduced density-matrix methods for few electrons: Exact versus adiabatic approximationsHelbig, N. / Fuks, J.I. / Tokatly, I.V. / Appel, H. / Gross, E.K.U. / Rubio, A. et al. | 2011
- 11
-
The formulation of a self-consistent constricted variational density functional theory for the description of excited statesCullen, John / Krykunov, Mykhaylo / Ziegler, Tom et al. | 2011
- 19
-
Accurate singlet and triplet excitation energies using the Localized Hartree–Fock Kohn–Sham potentialDella Sala, F. / Fabiano, E. et al. | 2011
- 27
-
Stochastic quantum molecular dynamics for finite and extended systemsAppel, Heiko / Ventra, Massimiliano Di et al. | 2011
- 37
-
Some open questions in TDDFT: Clues from lattice models and Kadanoff–Baym dynamicsVerdozzi, C. / Karlsson, D. / Puig von Friesen, M. / Almbladh, C.-O. / von Barth, U. et al. | 2011
- 50
-
Optimization schemes for selective molecular cleavage with tailored ultrashort laser pulsesKrieger, Kevin / Castro, Alberto / Gross, E.K.U. et al. | 2011
- 62
-
Electron transfer with TD-Split, a linear response time-dependent methodBartell, Lizette A. / Reslan, Randa / Wall, Michael R. / Kennedy, Robert D. / Neuhauser, Daniel et al. | 2011
- 69
-
An efficient method for quantum transport simulations in the time domainWang, Y. / Yam, C.-Y. / Frauenheim, Th. / Chen, G.H. / Niehaus, T.A. et al. | 2011
- 78
-
A unified approach to the density-potential mapping in a family of time-dependent density functional theoriesTokatly, I.V. et al. | 2011
- 83
-
Role of multiphoton excitation and two-electron effects in high harmonic generation of H2: A TDDFT calculationChu, Xi / Memoli, Patrick J. et al. | 2011
- 88
-
Strong-field ionization of Li and Be: a time-dependent density functional theory with self-interaction correctionTelnov, Dmitry A. / Heslar, John T. / Chu, Shih-I et al. | 2011
- 92
-
Time-dependent density functional theory applied to ligand-field excitations and their circular dichroism in some transition metal complexesRudolph, Mark / Ziegler, Tom / Autschbach, Jochen et al. | 2011
- 101
-
Nonadiabatic molecular dynamics with solvent effects: A LR-TDDFT QM/MM study of ruthenium (II) tris (bipyridine) in waterTavernelli, Ivano / Curchod, Basile F.E. / Rothlisberger, Ursula et al. | 2011
- 110
-
Perspectives on double-excitations in TDDFTElliott, Peter / Goldson, Sharma / Canahui, Chris / Maitra, Neepa T. et al. | 2011
- 120
-
Assessment of dressed time-dependent density-functional theory for the low-lying valence states of 28 organic chromophoresHuix-Rotllant, Miquel / Ipatov, Andrei / Rubio, Angel / Casida, Mark E. et al. | 2011
- 130
-
Relaxation and dephasing in open quantum systems time-dependent density functional theory: Properties of exact functionals from an exactly-solvable model systemTempel, David G. / Aspuru-Guzik, Alán et al. | 2011
- 143
-
Adiabatic approximation within time-dependent density functional theory using inversion of the ground-state spin-density Kohn–Sham formalismDreissigacker, Ingo / Lein, Manfred et al. | 2011
- 147
-
Potential-energy surfaces of local excited states from subsystem- and selective Kohn–Sham-TDDFTKovyrshin, Arseny / Neugebauer, Johannes et al. | 2011
- 157
-
Time-dependent transition density matrixLi, Yonghui / Ullrich, C.A. et al. | 2011
- 164
-
Time-dependent bond-current functional theory for lattice Hamiltonians: Fundamental theorem and application to electron transportKurth, S. / Stefanucci, G. et al. | 2011
- 173
-
Subject Index| 2011
- IFC
-
IFC (Editorial Board)| 2011
- v
-
Contents| 2011