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Density fitting for derivatives of Coulomb integrals in ab initio calculations using mixed Gaussian and plane-wave basis
coordinates by means of density fitting. Symbols k1 andk2 stand for plane-wave functions andg1 and g2 for gaussians. The study was undertaken with the objective to accelerate electronic structure and electron scattering ca...
CF - Fyzikální chemie a teoretická chemie
- 2009 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Evaluation of Molecular Integrals in a Mixed Gaussian and Plane-Wave Basis by Means of the Fadeeva Function and Its Derivatives.
Original scientific paper dealing with Evaluation of Molecular Integrals in a Mixed Gaussian and Plane-Wave Basis by Means of the Fadeeva Function and Its Derivatives....
CF - Fyzikální chemie a teoretická chemie
- 1998 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Efficient evaluation of Coulomb integrals in a mixed Gaussian and plane-wave basis using the density fitting and Cholesky decomposition
in wave-function MO and density functional theory-type calculations using mixed Gaussian and plane-wave basis sets. The crucial issues for achieving such a high)|g1(2)g2(2)), where k and...
CF - Fyzikální chemie a teoretická chemie
- 2012 •
- Jx •
- Link
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Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Výsledek na webu
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.We present an efficient method for the calculation of matrix elements between two plane waves interacting with a molecula...
CF - Fyzikální chemie a teoretická chemie
- 2002 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Efficient evaluation of Coulomb integrals in a mixed Gaussian and plane-wave basis
for the electronic structure theory in attempts to use mixed Gaussian and plane-wave basis sets.An efficient way of calculation is presented for matrix elements between two plane wav...
CF - Fyzikální chemie a teoretická chemie
- 2007 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Evaluation of Molecular Integrals in a Mixed Gaussian and Plane-Wave Basis by Rys Quadrature
BG - Jaderná, atomová a molekulová fyzika, urychlovače
- 1998 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Set of dielectric lens for focusation of EM wave
Designed and fabricated dielectric lenses provide a creation of exactly defined EM waves focused into a particular place. In the case of creation of a plane wave, the dielectric lenses increase a gain of antennas and create...
JA - Elektronika a optoelektronika, elektrotechnika
- 2008 •
- Gfunk
Rok uplatnění
Gfunk - Funkční vzorek
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 functio...
BL - Fyzika plasmatu a výboje v plynech
- 2013 •
- Jx •
- Link
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Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
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Near-field Measurement of Gaussian Beam behind Dielectric Lens
-field in the distance of 0.4m for the plane wave radiation and has a very wide beam-width. In case of adding and using of dielectric lens, the plane wave is created at the distance of 92mm with the Gaussian
JA - Elektronika a optoelektronika, elektrotechnika
- 2007 •
- D
Rok uplatnění
D - Stať ve sborníku
Efficient evaluation of exchange integrals by means of Fourier transform of the 1/r operator and its numerical quadrature
integrals of the(gk|gk) type in the hybrid Gaussian and plane-wave basis. Accuracy number of plane waves in the Fourier expansion while still keeping necessary accuracy......
CF - Fyzikální chemie a teoretická chemie
- 2014 •
- Jx •
- Link
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Výsledek na webu
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