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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

Brightly fluorescent red organic solids bearing boron-bridged π–conjugated skeletons

TL;DR: In this article, two π-conjugated organoboron complexes with highly efficient red (632 nm) and deep red (670 nm) solid-state fluorescence have been constructed and qualified as potential non-doped red emitters accompanied by excellent electron-transport ability.
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Dual Emission through Thermally Activated Delayed Fluorescence and Room-Temperature Phosphorescence, and Their Thermal Enhancement via Solid-State Structural Change in a Carbazole-Quinoline Conjugate

TL;DR: Experimental studies on dual emission of carbazole-quinoline conjugate show that the intensity of the dual features is enhanced with increasing temperatures up to 100 °C, which can be explained by a thermal-induced structural change (TISC) mechanism that compensates the emission losses due to nonradiative transitions at elevated temperatures.
Journal ArticleDOI

Density-Functional Approach to Atoms in Strong Laser Pulses

TL;DR: In this paper, a density functional formalism for time-dependent systems comparable to the theory of Hohenberg, Kohn and Sham is presented, where the timedependent density can be obtained (in principle exactly) from a set of timedependent single-particle (Kohn-Sham) equations.
Journal ArticleDOI

Time-dependent Density Functional Theory Calculations of Large Compact Polycyclic Aromatic Hydrocarbon Cations: Implications for the Diffuse Interstellar Bands

TL;DR: In this paper, the authors investigate the electronic absorption spectra of several maximally pericondensed polycyclic aromatic hydrocarbon radical cations with time-dependent density functional theory calculations.
Journal ArticleDOI

Efficient “Warm-White” OLEDs Based on the Phosphorescent bis-Cyclometalated iridium(III) Complex

TL;DR: In this article, it was shown that the electroluminescence spectra of the fabricated devices are more extended into the visible region compared with the photolumine-spectra of both component materials, which can be attributed to the phosphorescent emission of the low energy exciplex formed at the interface of the emissive layers.
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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