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Using Koopmans' theorem for constructing basis sets: approaching high Rydberg excited states of lithium with a compact Gaussian basis
contracted Gaussian basis sets. Despite its small size and Gaussian character, the optimized basis leads to highly accurate excitation energies that differ merely in the order of meV from the reference st...
Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
- 2023 •
- Jimp •
- Link
Rok uplatnění
Jimp - Článek v periodiku v databázi Web of Science
Výsledek na webu
Representing the Scattering Continuum by Square Integrable Basis
The ability of a square integrable basis to represent scattering continuum is investigated. Two Gaussian, one B-spline and one hybrid Gaussian - B-spline basis are constructed as a minimal basis set
Physical sciences
- 2017 •
- D •
- Link
Rok uplatnění
D - Stať ve sborníku
Výsledek na webu
Cubic-Grid Gaussian Basis Sets for Electron Scattering Calculations. III. Effect of Basis-Set Translation and Size on the Calculated Cross Section.
Annotation not available...
CF - Fyzikální chemie a teoretická chemie
- 1995 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Excitation of helium Rydberg states and doubly excited resonances in strong extreme ultraviolet fields: Full-dimensional quantum dynamics using exponentially tempered Gaussian basis sets
Recently optimized exponentially tempered Gaussian basis sets [P. R. Kapralova basis sets (typically limited by a number of partial waves, density, and spatial extent of the basis functions) as we...
BL - Fyzika plasmatu a výboje v plynech
- 2013 •
- Jx •
- Link
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Výsledek na webu
Density fitting for derivatives of Coulomb integrals in ab initio calculations using mixed Gaussian and plane-wave basis
Gaussian and plane-wave basis set is used. andg1 and g2 for gaussians. The study was undertaken with the objective......
CF - Fyzikální chemie a teoretická chemie
- 2009 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Cubic-grid Gaussian basis sets for electron scattering calculations IV.
BG - Jaderná, atomová a molekulová fyzika, urychlovače
- 1994 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Cubic-Grid Gaussian Basis Sets for Electron-Scattering Calculations. 6.
BG - Jaderná, atomová a molekulová fyzika, urychlovače
- 1997 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Efficient Evaluation of the Matrix Elements of the Coulomb Potential between Plane Waves and Gaussians.
matrix elements for the H2 molecule with Cartesian Gaussian basis set are reported. developed inproducts of Gaussian-type functions. The Gaussians may have arbitrary powers......
CF - Fyzikální chemie a teoretická chemie
- 2002 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Cubic-Grid Gaussian Basis Sets for Scattering Calculations. Part V. Tests for Simple Empirical Potentials
BG - Jaderná, atomová a molekulová fyzika, urychlovače
- 1995 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Cubic-Grid Gaussian Basis Sets for Electron Scattering Calculations. I. Definition and Construction.
Annotation not available...
CF - Fyzikální chemie a teoretická chemie
- 1995 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
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