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Parallelized implementation of the CCSD(T) method in molcas using optimized virtual orbitals space and Cholesky decomposed two-electron integrals
Parallelized implementation of the coupled cluster singles doubles with non-iterative triples in the MOLCAS program suite is described. The code benefits from the Cholesky decomposition of two-electron integrals and the algorithm is particul...
CF - Fyzikální chemie a teoretická chemie
- 2011 •
- Jx •
- Link
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
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The effect of astigmatism induced by refraction on the orbital angular momentum of light
astigmatism. The decompositions of the orbital angular momentum of the beam before and after refraction are different. A single-value state of orbital angular momentum......
Optics (including laser optics and quantum optics)
- 2020 •
- Jimp •
- Link
Rok uplatnění
Jimp - Článek v periodiku v databázi Web of Science
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KOREL - User's guide
The code KOREL for Fourier disentangling (i.e. simultaneous decomposition of component spectra and solution of orbital elements) and "line-photometry" of binary and multiple stars is described together with auxiliary codes PREKOR, K...
BN - Astronomie a nebeská mechanika, astrofyzika
- 2004 •
- C
Rok uplatnění
C - Kapitola v odborné knize
Geodesic orbit Finsler (α, β) metrics
Geodesic lemma for homogenenous Finsler (α, β) metrics is formulated in terms of the underlying Riemannian metric α and the one-form β. The existence of a particular reductive decomposition is described for easy construction of Finslerian ge...
Pure mathematics
- 2023 •
- JSC •
- Link
Rok uplatnění
JSC - Článek v periodiku v databázi SCOPUS
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Dynamics of a Lotka-Volterra map
Given a plane triangle of a vertex (0,0), (0,4) and (4,0) and a transformation given by F(x,y)=(x(4-x-y),xy), we prove the existence of the following objects: a unique invariant curve of spiral type, a periodic orbit of period 4 (given expli...
BA - Obecná matematika
- 2006 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Energy components in energy decomposition analysis (EDA) are path functions; why does it matter?
Here, we discuss that unlike bond dissociation energy (BDE) that is a state function quantity, the energy components of the energy decomposition analysis (EDA), i.e. electrostatic interaction, Pauli repulsion, and orbital interactio...
Physical chemistry
- 2020 •
- Jimp •
- Link
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Jimp - Článek v periodiku v databázi Web of Science
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Bonding and aromaticity of cyclic phosphazenes viewed as interaction of Dnh fragments
The qualitative molecular orbital approach based on orbital interactions is achieved by nonbonding pi-radial and pi-axial molecular orbitals (MOs) which are mainly localized on nitrogen atoms. The orbital interacti...
CF - Fyzikální chemie a teoretická chemie
- 2007 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Central Splitting of A(2) Discrete Fourier-Weyl Transforms
Two types of bivariate discrete weight lattice Fourier-Weyl transforms are related by the central splitting decomposition. The two-variable symmetric and antisymmetric Weyl orbit functions of the crystallographic reflection group A2...
Applied mathematics
- 2020 •
- Jimp •
- Link
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Jimp - Článek v periodiku v databázi Web of Science
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Coherent states for quantum compact groups
dressing orbit. The coherent state is interpreted as a holomorphic function on this orbit with values in the carrier Hilbert space of an irreducible representation of the corresponding quantized enveloping algebra. Using Gauss ...
Pure mathematics
- 1996 •
- Jimp
Rok uplatnění
Jimp - Článek v periodiku v databázi Web of Science
Quasi-Keplerian parametrization for eccentric compact binaries in scalar-tensor theories at second post-Newtonian order and applications
of a spherical harmonic mode decomposition, extending to eccentric orbits the results on eccentric bound orbits is established at second post-Newtonian (2PN) order in a class of massless scalar-tensor theories. This result...
Particles and field physics
- 2024 •
- Jimp •
- Link
Rok uplatnění
Jimp - Článek v periodiku v databázi Web of Science
Výsledek na webu
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