RESPONSE FUNCTIONS IN THE CONTINUUM OF DEFORMED NUCLEI STUDIED WITH THE TIME-DEPENDENT DENSITY-FUNCTIONAL CALCULATIONS

International Journal of Modern Physics E ◽

10.1142/s0218301309014342 ◽

2009 ◽

Vol 18 (10) ◽

pp. 2088-2092

Author(s):

TSUNENORI INAKURA ◽

TAKASHI NAKATSUKASA ◽

KAZUHIRO YABANA

Keyword(s):

Density Functional ◽

Three Dimensional ◽

High Energy ◽

Finite Amplitude ◽

Time Dependent ◽

Response Functions ◽

Giant Resonances ◽

Self Consistent ◽

Dipole Response ◽

Dependent Density

Electric dipole response functions of even-even nuclei are calculated with the time-dependent density-functional theory in perturbative regime. For an easy implementation of the fully self-consistent calculation, the finite amplitude method which we have proposed recently is employed. This is the first fully self-consistent RPA calculation in the three-dimensional mesh representation, including high-energy regions of giant resonances.

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Time Dependent Density Functional Theory description of giant resonances in transition metal complexes: The photoionization dynamics of Cr(CO)6

Chemical Physics ◽

10.1016/j.chemphys.2009.05.006 ◽

2009 ◽

Vol 361 (1-2) ◽

pp. 49-60 ◽

Author(s):

M. Stener ◽

G. Fronzoni ◽

P. Decleva

Keyword(s):

Density Functional Theory ◽

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Density Functional ◽

Time Dependent ◽

Giant Resonances ◽

Functional Theory ◽

Dependent Density

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Generalized time-dependent density-functional-theory response functions for spontaneous density fluctuations and nonlinear response: Resolving the causality paradox in real time

Physical Review A ◽

10.1103/physreva.71.024503 ◽

2005 ◽

Vol 71 (2) ◽

Author(s):

Shaul Mukamel

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Nonlinear Response ◽

Density Fluctuations ◽

Time Dependent ◽

Response Functions ◽

Functional Theory ◽

Generalized Time ◽

Causality Paradox ◽

Dependent Density

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KEY CONCEPTS IN TIME-DEPENDENT DENSITY-FUNCTIONAL THEORY

International Journal of Modern Physics B ◽

10.1142/s021797920100499x ◽

2001 ◽

Vol 15 (14) ◽

pp. 1969-2023 ◽

Author(s):

ROBERT VAN LEEUWEN

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Time Dependent ◽

Response Functions ◽

Many Body ◽

Functional Theory ◽

Key Concepts ◽

Initial States ◽

Many Body Systems ◽

Dependent Density

We give an overview of the underlying concepts of time-dependent density-functional theory. The basic relations between densities, potentials and initial states, for time-dependent many-body systems are discussed. We obtain some new results concerning the invertability of response functions. Some fundamental difficulties associated with the time-dependent action principle are discussed and we show how these difficulties can be resolved by means of the Keldysh formalism.

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TIME-DEPENDENT DENSITY FUNCTIONAL THEORY WITH SKYRME FORCES: DESCRIPTION OF GIANT RESONANCES IN DEFORMED NUCLEI

Changing Facets of Nuclear Structure ◽

10.1142/9789812779038_0048 ◽

2008 ◽

Author(s):

J. KVASIL ◽

W. KLEINIG ◽

V. O. NESTERENKO ◽

P.-G. REINHARD ◽

P. VESELY

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Time Dependent ◽

Giant Resonances ◽

Functional Theory ◽

Deformed Nuclei ◽

Dependent Density

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Cubic response functions in time-dependent density functional theory

The Journal of Chemical Physics ◽

10.1063/1.1811605 ◽

2005 ◽

Vol 122 (5) ◽

pp. 054107 ◽

Author(s):

Branislav Jansik ◽

Paweł Sałek ◽

Dan Jonsson ◽

Olav Vahtras ◽

Hans Ågren

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Time Dependent ◽

Response Functions ◽

Functional Theory ◽

Dependent Density

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Optical properties of clusters and molecules from real-time time-dependent density functional theory using a self-consistent field

Molecular Physics ◽

10.1080/00268976.2010.491489 ◽

2010 ◽

Vol 108 (14) ◽

pp. 1829-1844 ◽

Author(s):

Jun Ren ◽

Efthimios Kaxiras ◽

Sheng Meng

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Real Time ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Dependent Density

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A time-dependent density-functional theory and complete active space self-consistent field method study of vibronic absorption and emission spectra of coumarin

The Journal of Chemical Physics ◽

10.1063/1.4885845 ◽

2014 ◽

Vol 141 (1) ◽

pp. 014306 ◽

Author(s):

Junfeng Li ◽

Zilvinas Rinkevicius ◽

Zexing Cao

Keyword(s):

Density Functional ◽

Emission Spectra ◽

Field Method ◽

Time Dependent ◽

Functional Theory ◽

Complete Active Space ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Dependent Density

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Synthesis, Spectra, and Theoretical Investigations of 1,3,5-Triazines Compounds as Ultraviolet Rays Absorber Based on Time-Dependent Density Functional Calculations and three-Dimensional Quantitative Structure-Property Relationship

Journal of Fluorescence ◽

10.1007/s10895-018-2235-2 ◽

2018 ◽

Vol 28 (2) ◽

pp. 707-723 ◽

Author(s):

Xueding Wang ◽

Yilian Xu ◽

Lu Yang ◽

Xiang Lu ◽

Hao Zou ◽

...

Keyword(s):

Density Functional Calculations ◽

Density Functional ◽

Three Dimensional ◽

Time Dependent ◽

Ultraviolet Rays ◽

Quantitative Structure ◽

Structure Property ◽

Theoretical Investigations ◽

Structure Property Relationship ◽

Dependent Density

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Electronic Excitations in Copper Oxides: Time-Dependent Density Functional Theory Calculations with a Self-Consistent Hybrid Kernel

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.0c08270 ◽

2020 ◽

Vol 124 (45) ◽

pp. 24995-25003

Author(s):

Aleksandar Živković ◽

Nora H. de Leeuw ◽

Barry G. Searle ◽

Leonardo Bernasconi

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Copper Oxides ◽

Time Dependent ◽

Electronic Excitations ◽

Functional Theory ◽

Self Consistent ◽

Dependent Density ◽

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Time-dependent density functional theory using atomic orbitals and the self-consistent Sternheimer equation

Physical Review B ◽

10.1103/physrevb.89.085129 ◽

2014 ◽

Vol 89 (8) ◽

Author(s):

Hannes Hübener ◽

Feliciano Giustino

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

The Self ◽

Time Dependent ◽

Functional Theory ◽

Atomic Orbitals ◽

Self Consistent ◽

Dependent Density

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