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The ground states and excited states of the Lipkin model hamiltonian are calculated using a new theoretical approach which has been derived from an extended time-dependent Hartree-Fock theory known as the time-dependent density-matrix…

Nuclear Theory · Physics 2009-11-10 S. Takahara , M. Tohyama , P. Schuck

The time-dependent density-matrix theory (TDDM) gives a correlated ground state as a stationary solution of the time-dependent equations for one-body and two-body density matrices. The small amplitude limit of TDDM (STDDM) is a version of…

Nuclear Theory · Physics 2009-11-10 Mitsuru Tohyama , Satoshi Takahara

An extended time-dependent Hartree-Fock theory, known as the time-dependent density-matrix theory (TDDM), is solved as a time-independent eigenvalue problem for low-lying $2^+$ states in $^{24}$O to understand the foundation of the rather…

Nuclear Theory · Physics 2009-11-10 M. Tohyama , P. Schuck

The strength functions of quadrupole modes in the unstable oxygen isotopes 22O and 24O are calculated using an extended version of the time-dependent Hartree-Fock theory known as the time-dependent density-matrix theory (TDDM). It is found…

Nuclear Theory · Physics 2009-11-07 M. Tohyama , A. S. Umar

Necessary conditions that the spurious state associated with the translational motion and its double-phonon state have zero excitation energy in extended RPA (ERPA) theories which include both one-body and two-body amplitudes are…

Nuclear Theory · Physics 2009-11-10 M. Tohyama , P. Schuck

The strength functions of isovector dipole resonances in the even oxygen isotopes $^{18\sim24}$O are calculated by using an extended version of the time-dependent Hartree-Fock theory known as the time-dependent density-matrix theory (TDDM).…

Nuclear Theory · Physics 2009-11-07 M. Tohyama , A. S. Umar

We demonstrate that ground state energies approaching chemical accuracy can be obtained by combining the adiabatic connection fluctuation-dissipation theorem (ACFDT) with time-dependent density functional theory (TDDFT). The key ingredient…

Materials Science · Physics 2014-05-29 Thomas Olsen , Kristian S. Thygesen

The strength functions of the DGDRs in 16O and 40Ca are calculated using an extended version of TDHF known as the time-dependent density-matrix theory (TDDM). The calculations are done in a self-consistent manner, in which the same Skyrme…

Nuclear Theory · Physics 2009-11-06 M. Tohyama

The time-dependent density functional theory (TDDFT) has been broadly used to investigate the excited-state properties of various molecular systems. However, the current TDDFT heavily relies on outcomes from the corresponding ground-state…

Chemical Physics · Physics 2020-09-02 Shu-Hao Yeh , Aaditya Manjanath , Yuan-Chung Cheng , Jeng-Da Chai , Chao-Ping Hsu

Time-dependent density-functional theory (TDDFT) is an extension of ground-state density-functional theory which allows the treatment of electronic excited states and a wide range of time-dependent phenomena in the linear and nonlinear…

Materials Science · Physics 2025-10-10 Carsten A. Ullrich

This chapter provides a basic introduction to excited-state extensions of density functional theory (DFT), including time-dependent (TD-)DFT in both its linear-response and its explicitly time-dependent formulations. As applied to the…

Chemical Physics · Physics 2023-05-02 John M. Herbert

In an effort to find an effective interaction which can consistently be used for both the mean-field part and the residual part in beyond mean-field theories, properties of the Skyrme interactions as a residual interaction are investigated.…

Nuclear Theory · Physics 2021-07-07 Mitsuru Tohyama

We develop a time-dependent Gutzwiller approximation (GA) for the Hubbard model analogous to the time-dependent Hartree-Fock (HF) method. The formalism incorporates ground state correlations of the random phase approximation (RPA) type…

Strongly Correlated Electrons · Physics 2008-06-16 G. Seibold , J. Lorenzana

A stochastic approach to time-dependent density functional theory (TDDFT) is developed for computing the absorption cross section and the random phase approximation (RPA) correlation energy. The core idea of the approach involves…

Chemical Physics · Physics 2016-11-04 Yi Gao , Daniel Neuhauser , Roi Baer , Eran Rabani

The determination of the elements of the S-matrix within the framework of time-dependent density-functional theory (TDDFT) has remained a widely open question. We explore two different methods to calculate state-to-state transition…

Quantum Physics · Physics 2007-05-23 Nina Rohringer , Simone Peter , Joachim Burgdörfer

Time-dependent Hartree-Fock (TDHF) is one of the fundamental post-Hartree-Fock (HF) methods to describe excited states. In its Tamm-Dancoff form, equivalent to Configuration Interaction Singles, it is still widely used and particularly…

Chemical Physics · Physics 2024-11-18 Uday Panta , David A. Strubbe

We illustrate the scope of Time Dependent Density Functional Theory (TDDFT) for strongly correlated (lattice) models out of equilibrium. Using the exact many body time evolution, we reverse engineer the exact exchange correlation (xc)…

Mesoscale and Nanoscale Physics · Physics 2008-08-12 Claudio Verdozzi

We propose a new method of calculating electronically excited states that combines a density functional theory (DFT) based ground state calculation with a linear response treatment that employs approximations used in the time-dependent…

Chemical Physics · Physics 2016-05-11 Robert Rüger , Erik van Lenthe , Thomas Heine , Lucas Visscher

We present a variational formulation of Time-Dependent Density Functional Theory similar to the constrained-search variational formulation of ground-state density-function theory. The formulation is applied to justify the time-dependent…

Other Condensed Matter · Physics 2012-10-26 Jérôme Daligault

Time-dependent density functional theory (TDDFT) is a standard approach for calculating optical excitations of molecules and solids, while ensemble DFT (EDFT) is a promising alternative under development. We introduce ensemble TDDFT…

Chemical Physics · Physics 2026-05-22 Kimberly J. Daas , Steven Crisostomo , Kieron Burke
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