✦ LIBER ✦

Use of a size-consistent energy functional in many electron theory for closed shells

✍ Scribed by Sourav Pal; M. Durga Prasad; Debashis Mukherjee

Publisher: Springer
Year: 1983
Tongue: English
Weight: 670 KB
Volume: 62
Category: Article
ISSN: 1432-2234
DOI: 10.1007/bf00557928

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Test of the non-closed shell many-electr

Test of the non-closed shell many-electron theory in a solvable model

✍ A. Calles 📂 Article 📅 1974 🏛 Elsevier Science 🌐 English ⚖ 165 KB

Kinetic energy density in terms of elect

Kinetic energy density in terms of electron density for closed-shell atoms in a bare Coulomb field

✍ C. Amovilli; N. H. March 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 119 KB

A long-term aim in density functional theory is to obtain the kinetic Ž . Ž . Ž . energy density t r in terms of the ground-state electron density r . Here, t r is Ž . written explicitly in terms of r for an arbitrary number N N of closed shells in a bare Ž . Coulomb field. In the limit as N N ª ϱ,

Generalized Floquet theoretical formulat

Generalized Floquet theoretical formulation of time-dependent density functional theory for many-electron systems in multicolor laser fields

✍ Dmitry A. Telnov; Shih-I Chu 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 195 KB 👁 2 views

The Sextic Centrifugal Distortion Terms

The Sextic Centrifugal Distortion Terms for an Open-Shell Complex Consisting of a Diatomic Molecule in a 2S+1Σ Electronic State and a Closed-Shell Partner

✍ Wafaa M. Fawzy; Reham M. Reda 📂 Article 📅 2000 🏛 Elsevier Science 🌐 English ⚖ 137 KB

An effective Hamiltonian for calculating rotational energy levels of an open-shell diatomic molecule, in a 2Sϩ1 ⌺ electronic state, weakly bonded to a closed-shell partner was presented (W. M. Fawzy, J. Mol. Spectrosc. 191, 68 -80 (1998)). The Hamiltonian was given as H ϭ H ev ϩ H rot ϩ H sr ϩ H ss

A New Correlation Energy Interpolation F

A New Correlation Energy Interpolation Functional for Many-Electron Systems in the Homogeneous Electron Gas Model. The Ratio of Paramagnetic and Ferromagnetic State Energies versus Gas Density

✍ O. V. Gritsenko; G. M. Zhidomirov 📂 Article 📅 1986 🏛 John Wiley and Sons 🌐 English ⚖ 587 KB

Method of local-scaling transformations

Method of local-scaling transformations and density functional theory in quantum chemistry. II. The procedure for reproducing a many-electron wave function from x-ray diffraction data on one-electron density

✍ Eugene S. Kryachko; Ivan Zh. Petkov; Mario V. Stoitsov 📂 Article 📅 1987 🏛 John Wiley and Sons 🌐 English ⚖ 343 KB