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Excitation energies of light-emitting organic conjugated polymers have been investigated with time-dependent density functional theory (TDDFT) within the adiabatic approximation for the dynamical exchange-correlation potential. Our…

Materials Science · Physics 2009-07-06 Jianmin Tao , Sergei Tretiak , Jian-Xin Zhu

We present a numerical implementation of the gauge-invariant time-dependent configuration interaction singles (TDCIS) method [Appl. Sci. 8, 433 (2018)] for three-dimensional atoms. In our implementation, orbital-like quantity called channel…

Atomic Physics · Physics 2019-10-09 Takuma Teramura , Takeshi Sato , Kenichi L. Ishikawa

We study the structure of generalized parton distributions in spin 0 nuclei within a microscopic approach for nuclear dynamics. GPDs can be used on one side as tools to unravel the deep inelastic transverse structure of nuclei in terms of…

High Energy Physics - Phenomenology · Physics 2009-11-11 S. Liuti , S. K. Taneja

The Quantum-Electrodynamical Time-Dependent Density Functional Theory (QED-TDDFT) equations are solved by time propagating the wave function on a tensor product of a Fock-space and real-space grid. Applications for molecules in cavities…

Quantum Physics · Physics 2022-11-30 Justin Malave , Alexander Ahrens , Daniel Pitagora , Cody Covington , Kálmán Varga

The time-dependent energy density functional with pairing allows to describe a large variety of phenomena from small to large amplitude collective motion. Here, we briefly summarize the recent progresses made in the field using the TD-BCS…

Nuclear Theory · Physics 2015-10-01 Denis Lacroix , Yusuke Tanimura , Guillaume Scamps

Background: Near-barrier fusion can be strongly affected by the coupling between relative motion and internal degrees of freedom of the collision partners. The time-dependent Hartree-Fock (TDHF) theory and the coupled-channels (CC) method…

Nuclear Theory · Physics 2013-12-09 C. Simenel , M. Dasgupta , D. J. Hinde , E. Williams

The Generator Coordinate Method (GCM) in the Gaussian Overlap Approximation (GOA) is applied to a description of the nuclear quadrupole collective states. The full five-dimensional quadrupole tensor is used as a set of the generator…

Nuclear Theory · Physics 2015-06-04 Stanisław G. Rohoziński

We formulate a time-dependent density-matrix functional theory (TDDMFT) approach for higher-order correlation effects like biexcitons in optical processes in solids based on the reduced two-particle density-matrix formalism within the…

Materials Science · Physics 2015-05-19 Volodymyr Turkowski , Carsten A. Ullrich , Talat S. Rahman , Michael N. Leuenberger

We present an overview of beyond mean field theories (BMFT) based on the generator coordinate method (GCM) and the recovery of symmetries used in nuclear physics with effective forces. After a reminder of the Hartree-Fock-Bogoliubov (HFB)…

Nuclear Theory · Physics 2016-06-15 J. Luis Egido

Time-dependent density functional theory (TDDFT) is rapidly emerging as a premier method for solving dynamical many-body problems in physics and chemistry. The mathematical foundations of TDDFT are established through the formal existence…

Quantum Physics · Physics 2014-08-22 J. D. Whitfield , M. -H. Yung , D. G. Tempel , S. Boixo , A. Aspuru-Guzik

Elastic-scattering phase shifts for four-nucleon systems are studied in an $ab$-$initio$ type cluster model in order to clarify the role of the tensor force and to investigate cluster distortions in low energy $d+d$ and $t+p$ scattering. In…

Nuclear Theory · Physics 2015-05-28 S. Aoyama , K. Arai , Y. Suzuki , P. Descouvemont , D. Baye

We study the effect of a direct Giant Dipole Resonance ($GDR$) excitation in intermediate dinuclear systems with exotic shape and charge distributions formed in charge asymmetric fusion entrance channels. A related enhancement of the $GDR$…

Nuclear Theory · Physics 2016-09-08 V. Baran , M. Cabibbo , M. Colonna , M. Di Toro , N. Tsoneva

Localized molecular orbitals are often used for the analysis of chemical bonds, but they can also serve to efficiently and comprehensibly compute linear response properties. While conventional canonical molecular orbitals provide an…

Chemical Physics · Physics 2023-02-08 Souloke Sen , Bruno Senjean , Lucas Visscher

The CGMF code implements the Hauser-Feshbach statistical nuclear reaction model to follow the de-excitation of fission fragments by successive emissions of prompt neutrons and $\gamma$ rays. The Monte Carlo technique is used to facilitate…

Nuclear Theory · Physics 2021-08-09 P. Talou , I. Stetcu , P. Jaffke , M. E. Rising , A. E. Lovell , T. Kawano

A generalized contour deformation method (GCDM) which combines complex rotation and translation in momentum space, is discussed. GCDM gives accurate results for bound, virtual (antibound), resonant and scattering states starting with a…

Nuclear Theory · Physics 2008-11-26 G. Hagen , M. Hjorth-Jensen , J. S. Vaagen

Time-dependent density functional theory (TDDFT) within the linear response regime provides a solid mathematical framework to capture excitations. The accuracy of the theory, however, largely depends on the approximations for the…

Strongly Correlated Electrons · Physics 2023-11-01 Aaron D. Kaplan , Adrienn Ruzsinszky

With a help of the selfconsistent Hartree-Fock-Bogoliubov (HFB) approach with the D1S effective Gogny interaction and the Generator Coordinate Method (GCM) we incorporate the transverse collective vibrations to the one-dimensional model of…

Nuclear Theory · Physics 2008-11-26 A. Dobrowolski , H. Goutte , J. -F. Berger

We carried out a simulation of heavy ion collision using a time-dependent density functional theory. We call it the canonical-basis time-dependent Hartree-Fock-Bogoliubov theory (Cb-TDHFB) which can describe nuclear dynamics in…

Nuclear Theory · Physics 2015-06-12 Shuichiro Ebata

We present results for calculating fusion cross-sections using a new microscopic approach based on a time-dependent density-constrained DFT calculations. The theory is implemented by using densities and other information obtained from TDDFT…

Nuclear Theory · Physics 2014-03-25 R. Keser , A. S. Umar , V. E. Oberacker , J. A. Maruhn , P. -G. Reinhard

An approximate solution to the time-dependent density functional theory (TDDFT) response equations for finite systems is developed, yielding corrections to the single-pole approximation. These explain why allowed Kohn-Sham transition…

Materials Science · Physics 2009-11-07 H. Appel , E. K. U. Gross , K. Burke