Standard

Generalized effective-core-potential method : Potentials for the atoms Xe, Pd, and Ag. / Mosyagin, N. S.; Titov, A. V.; Tulub, A. V.

In: Physical Review A, Vol. 50, No. 3, 1994, p. 2239-2247.

Research output: Contribution to journal › Article › peer-review

Harvard

Mosyagin, NS, Titov, AV & Tulub, AV 1994, 'Generalized effective-core-potential method: Potentials for the atoms Xe, Pd, and Ag', Physical Review A, vol. 50, no. 3, pp. 2239-2247. https://doi.org/10.1103/PhysRevA.50.2239

APA

Mosyagin, N. S., Titov, A. V., & Tulub, A. V. (1994). Generalized effective-core-potential method: Potentials for the atoms Xe, Pd, and Ag. Physical Review A, 50(3), 2239-2247. https://doi.org/10.1103/PhysRevA.50.2239

Vancouver

Mosyagin NS, Titov AV, Tulub AV. Generalized effective-core-potential method: Potentials for the atoms Xe, Pd, and Ag. Physical Review A. 1994;50(3):2239-2247. https://doi.org/10.1103/PhysRevA.50.2239

Author

Mosyagin, N. S. ; Titov, A. V. ; Tulub, A. V. / Generalized effective-core-potential method : Potentials for the atoms Xe, Pd, and Ag. In: Physical Review A. 1994 ; Vol. 50, No. 3. pp. 2239-2247.

BibTeX

@article{eaf3d9fdc3f64f98ac2c803881432e18,
title = "Generalized effective-core-potential method: Potentials for the atoms Xe, Pd, and Ag",
abstract = "A scheme of generation of the generalized effective-core potential (generalized ECP) is described. Both valence and outermost core pseudo-orbitals are included in the generalized ECP construction scheme. Effective potentials have been generated for the atoms Xe, Pd, and Ag. The potentials and pseudo-orbitals are presented as linear combinations of Gaussians. Significant improvement (about 10 times) as compared with the standard ECP approach for reproduction of transition energies from all-electron calculations is demonstrated for transitions between the states with different configuration structures.",
author = "Mosyagin, {N. S.} and Titov, {A. V.} and Tulub, {A. V.}",
year = "1994",
doi = "10.1103/PhysRevA.50.2239",
language = "English",
volume = "50",
pages = "2239--2247",
journal = "Physical Review A - Atomic, Molecular, and Optical Physics",
issn = "1050-2947",
publisher = "American Physical Society",
number = "3",

}

RIS

TY - JOUR

T1 - Generalized effective-core-potential method

T2 - Potentials for the atoms Xe, Pd, and Ag

AU - Mosyagin, N. S.

AU - Titov, A. V.

AU - Tulub, A. V.

PY - 1994

Y1 - 1994

N2 - A scheme of generation of the generalized effective-core potential (generalized ECP) is described. Both valence and outermost core pseudo-orbitals are included in the generalized ECP construction scheme. Effective potentials have been generated for the atoms Xe, Pd, and Ag. The potentials and pseudo-orbitals are presented as linear combinations of Gaussians. Significant improvement (about 10 times) as compared with the standard ECP approach for reproduction of transition energies from all-electron calculations is demonstrated for transitions between the states with different configuration structures.

AB - A scheme of generation of the generalized effective-core potential (generalized ECP) is described. Both valence and outermost core pseudo-orbitals are included in the generalized ECP construction scheme. Effective potentials have been generated for the atoms Xe, Pd, and Ag. The potentials and pseudo-orbitals are presented as linear combinations of Gaussians. Significant improvement (about 10 times) as compared with the standard ECP approach for reproduction of transition energies from all-electron calculations is demonstrated for transitions between the states with different configuration structures.

UR - http://www.scopus.com/inward/record.url?scp=0000859617&partnerID=8YFLogxK

U2 - 10.1103/PhysRevA.50.2239

DO - 10.1103/PhysRevA.50.2239

M3 - Article

AN - SCOPUS:0000859617

VL - 50

SP - 2239

EP - 2247

JO - Physical Review A - Atomic, Molecular, and Optical Physics

JF - Physical Review A - Atomic, Molecular, and Optical Physics

SN - 1050-2947

IS - 3

ER -

ID: 11883747