𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Density hierarchy for the time-dependent correlation functions

✍ Scribed by P.A. Egelstaff; C.G. Gray; K.E. Gubbins


Publisher
Elsevier Science
Year
1971
Tongue
English
Weight
165 KB
Volume
37
Category
Article
ISSN
0375-9601

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Evaluation of exchange-correlation funct
✍ Jason P. Holland; Jennifer C. Green 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 138 KB 👁 1 views

## Abstract The electronic absorption spectra of a range of copper and zinc complexes have been simulated by using time‐dependent density functional theory (TD‐DFT) calculations implemented in Gaussian03. In total, 41 exchange‐correlation (XC) functionals including first‐, second‐, and third‐genera

Exact exchange kernel for time-dependent
✍ Andreas Görling 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 204 KB 👁 1 views

An exact expression for the exchange kernel of time-dependent densityfunctional theory, the frequency-dependent functional derivative of the exchange potential with respect to the density, is derived. The expression is simple enough to be applied in practice. A simple and transparent derivation of t

Time- and frequency-dependent correlatio
✍ J.H.H. Perk; H.W. Capel 📂 Article 📅 1980 🏛 Elsevier Science 🌐 English ⚖ 692 KB

Explicit expressions are derived for the time correlations between x-and y-components of spins and their frequency-Fourier transforms in the one-dimensional XY-model in the hightemperature limit (/3 = 0). The results can be expressed as a linear combination of at most three Gaussians multiplied with

Analytical excited state forces for the
✍ D. Heringer; T. A. Niehaus; M. Wanko; TH. Frauenheim 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 180 KB

## Abstract An analytical formulation for the geometrical derivatives of excitation energies within the time‐dependent density‐functional tight‐binding (TD‐DFTB) method is presented. The derivation is based on the auxiliary functional approach proposed in [Furche and Ahlrichs, J Chem Phys 2002, 117

Time correlation functions for the one-d
✍ R.M. Mazo; Henk van Beijeren 📂 Article 📅 1983 🏛 Elsevier Science 🌐 English ⚖ 624 KB

The velocity autocorrelatlon function and related quantities are investigated for the onedimensional deterministic Lorentz gas, consisting of randomly distributed fixed scatterers and light particles moving back and forth between two of these at a constant given speed An expansion for the velocity a