time dependent density functional theory

نتایج جستجو برای: time dependent density functional theory

تعداد نتایج: 3755051 فیلتر نتایج به سال:

Fundamentals of Time-Resolved Charge-Transfer in Time-Dependent Density Functional Theory

2012

J. I. Fuks N. T. Maitra

J. I. Fuks, P. Elliott, A. Rubio, 3 and N. T. Maitra Nano-Bio Spectroscopy group, Dpto. Fı́sica de Materiales, Universidad del Paı́s Vasco, Centro de Fı́sica de Materiales CSIC-UPV/EHU-MPC and DIPC, Av. Tolosa 72, E-20018 San Sebastián, Spain Department of Physics and Astronomy, Hunter College and the City University of New York, 695 Park Avenue, New York, New York 10065, USA Fritz-Haber-Institut ...

متن کامل

Reformulating Time-Dependent Density Functional Theory (TDDFT) with Non-orthogonal Localized Molecular Orbitals

2009

Ganglong Cui Weihai Fang Weitao Yang

متن کامل

Excitation Energies for Transition Metal Compounds from Time-Dependent Density Functional Theory. Applications to MnO4, Ni(CO)4, and Mn2(CO)10

1999

S. J. A. van Gisbergen J. A. Groeneveld A. Rosa J. G. Snijders E. J. Baerends

S. J. A. van Gisbergen,*,† J. A. Groeneveld,† A. Rosa,‡ J. G. Snijders,§ and E. J. Baerends*,† Section Theoretical Chemistry, Vrije UniVersiteit, De Boelelaan 1083, 1081 HV, Amsterdam, The Netherlands, Dipartimento di Chimica, UniVersità della Basilicata, Via N. Sauro, 85, 85100 Potenza, Italy, and Theoretical Chemistry and Materials Science Centre, RijksuniVersiteit Groningen, Nijenborgh 4, 97...

متن کامل

نمودار تعداد نتایج جستجو در هر سال

با کلیک روی نمودار نتایج را به سال انتشار فیلتر کنید

Fundamentals of Time-Resolved Charge-Transfer in Time-Dependent Density Functional Theory

Reformulating Time-Dependent Density Functional Theory (TDDFT) with Non-orthogonal Localized Molecular Orbitals

Excitation Energies for Transition Metal Compounds from Time-Dependent Density Functional Theory. Applications to MnO4, Ni(CO)4, and Mn2(CO)10

Time-Resolved Exciton Wave Functions from Time-Dependent Density-Functional Theory

Stochastic time-dependent current-density-functional theory: A functional theory of open quantum systems

Time-dependent density-functional theory/localized density matrix method for dynamic hyperpolarizability

Adiabatic approximation of time-dependent density matrix functional response theory

Time-dependent density functional theory beyond Kohn–Sham Slater determinants

Analysis of Floquet formulation of time-dependent density-functional theory

Time-Dependent Density-Functional Theory with a Self-Interaction Correction