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Journal ArticleDOI

Density-Functional Theory for Time-Dependent Systems

Erich Runge, +1 more
- 19 Mar 1984 - 
- Vol. 52, Iss: 12, pp 997-1000
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TLDR
In this article, a time-dependent version of density functional theory was proposed to deal with the non-perturbative quantum mechanical description of interacting many-body systems moving in a very strong timedependent external field.
Abstract
The response of an interacting many-particle system to a time-dependent external field can usually be treated within linear response theory. Due to rapid experimental progress in the field of laser physics, however, ultra-short laser pulses of very high intensity have become available in recent years. The electric field produced in such pulses can reach the strength of the electric field caused by atomic nuclei. If an atomic system is placed in the focus of such a laser pulse one observes a wealth of new phenomena [1] which cannot be explained by traditional perturbation theory. The non-perturbative quantum mechanical description of interacting particles moving in a very strong time-dependent external field therefore has become a prominent problem of theoretical physics. In principle, it requires a full solution of the time-dependent Schrodinger equation for the interacting many-body system, which is an exceedingly difficult task. In view of the success of density functional methods in the treatment of stationary many-body systems and in view of their numerical simplicity, a time-dependent version of density functional theory appears highly desirable, both within and beyond the regime of linear response.

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Citations
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Journal ArticleDOI

Thiophene-diazine molecular semiconductors: Synthesis, structural, electrochemical, optical, and electronic structural properties; Implementation in organic field-effect transistors

TL;DR: Interestingly, despite strong intermolecular interactions, high solid-state fluorescence efficiencies are observed for these new derivatives and emission characteristics suggest that these materials behave as more extended pi systems, which should be advantageous in light-emitting transistors.
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Elementary relaxation processes investigated by femtosecond photoelectron spectroscopy of two‐dimensional materials

TL;DR: In this article, hot electron relaxation in epitaxial metallic film is reviewed, and the effect of coherent nuclear motion on the electronic structure, which can break low symmetry ground states, is discussed.
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Aspects of spin dynamics and magnetic interactions

TL;DR: For non-collinear magnetic alignment is somewhat unusual for equilibrium, and those systems exhibiting such ground states are frequently 'victims' of competing forces as discussed by the authors, however, magnetic alignment for non-equilibrium, or dynamical systems is universal.
Journal ArticleDOI

Dynamics of Charge-Transfer Processes with Time-Dependent Density Functional Theory.

TL;DR: It is shown that whenever an electron transfers between closed-shell molecular fragments, the exact correlation potential of time-dependent density functional theory develops a step and peak structure in the bonding region that leads to inaccurate charge-transfer dynamics.
Journal ArticleDOI

Enhanced Absorption Induced by a Metallic Nanoshell

TL;DR: In this paper, a core composed of a "jellium" ball of the density of gold is embedded within a jellium nanoshell of nanometric diameter, and the shell plasmon frequency is tuned to the core absorption line.
References
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Journal ArticleDOI

Self-Consistent Equations Including Exchange and Correlation Effects

TL;DR: In this paper, the Hartree and Hartree-Fock equations are applied to a uniform electron gas, where the exchange and correlation portions of the chemical potential of the gas are used as additional effective potentials.
Journal ArticleDOI

Inhomogeneous Electron Gas

TL;DR: In this article, the ground state of an interacting electron gas in an external potential was investigated and it was proved that there exists a universal functional of the density, called F[n(mathrm{r})], independent of the potential of the electron gas.
Journal ArticleDOI

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

TL;DR: The authors assess various approximate forms for the correlation energy per particle of the spin-polarized homogeneous electron gas that have frequently been used in applications of the local spin density a...
Journal ArticleDOI

Universal variational functionals of electron densities, first-order density matrices, and natural spin-orbitals and solution of the v-representability problem

TL;DR: The v-representability problem, which is especially severe for trial first-order density matrices, has been solved and universal variational functionals in Hartree-Fock and other restricted wavefunction theories are presented.
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