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Standing Waves with Prescribed Norm for the Coupled Hartree-Fock System
In this paper, we develop an exhaustive analysis on standing waves with prescribed mass for the coupled Hartree-Fock system, which is introduced by Hartree in the 1920's and developed by Fock for describing large s...
Applied mathematics
- 2023 •
- Jimp •
- Link
Rok uplatnění
Jimp - Článek v periodiku v databázi Web of Science
Výsledek na webu
Performance of empirical potentials (AMBER,CFF95,CHARMM, OPLS, POLTEV), semiempirical quantum chemical methods (AM1, MNDO/M, PM3), and ab initio Hartree-Fock method for interaction of DNA
CF - Fyzikální chemie a teoretická chemie
- 1997 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Performance of Empirical Potentials (AMBER,CFF95,CVFF,CHARMM,OPLS,POLTEV), Semiempirical Quantum Chemical Methods (AM1,MNDO/M,PM3) and ab initio Hartree-Fock Method for Interaction of DNA
Annotation not available...
CF - Fyzikální chemie a teoretická chemie
- 1997 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Octupole deformations in actinides at high spins within the cranking Skyrme-Hartree-Fock approach.
Octupole deformations in actinides at high spins within the cranking Skyrme-Hartree-Fock approach.
BG - Jaderná, atomová a molekulová fyzika, urychlovače
- 2002 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Unrestricted Hartree-Fock cluster calculation of electronic and optical properties of delta-doped n-i-p-i semiconductors
Unrestricted Hartree-Fock cluster calculation of electronic and optical properties of delta-doped n-i-p-i semiconductors...
BM - Fyzika pevných látek a magnetismus
- 2001 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Convergence study of different approaches of solving the hartree-fock equation on the potential curve of the hydrogen fluoride
Method, for solving the nonlinear eigenvalue problem occurring in the electronic structure calculations. We have selected the Hartree-Fock approximation whereThe aim of the paper is to compare the convergence of chosen num...
Applied mathematics
- 2020 •
- D •
- Link
Rok uplatnění
D - Stať ve sborníku
Výsledek na webu
Significant Structural Deformation of Nucleic Acid Bases in Stacked Base Pairs: an ab initio Study beyond Hartree-Fock.
Original scientific paper dealing with Significant Structural Deformation of Nucleic Acid Bases in Stacked Base Pairs: an ab initio Study beyond Hartree-Fock....
CF - Fyzikální chemie a teoretická chemie
- 1998 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Approximate symmetry-breaking in the independent particle model of monocyclic completely conjugated polyenes
We examine the singlet stability of symmetry adapted, restricted Hartree-Fock solutions and the implied symmetry breaking for various planar, pi-electron systems with conjugated double bonds as described by the semiempirical Pariser...
BE - Teoretická fyzika
- 2008 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Comparison of Hartree-Fock and Kohn-Sam determinants as wave functions.
Annotation not available...
CE - Biochemie
- 2000 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Generalized Population Analysis of Three-Center Two-Electron Bonding
the SC method, is assessed by means of comparison with analogous Hartree-Fock values...
CF - Fyzikální chemie a teoretická chemie
- 2004 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
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