Standard

Accuracy and efficiency of modern methods for electronic structure calculation on heavy- and superheavy-element compounds. / Titov, A. V.; Mosyagin, N. S.; Isaev, T. A.; Petrov, A. N.

In: Physics of Atomic Nuclei, Vol. 66, No. 6, 06.2003, p. 1152-1162.

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

Harvard

Titov, AV, Mosyagin, NS, Isaev, TA & Petrov, AN 2003, 'Accuracy and efficiency of modern methods for electronic structure calculation on heavy- and superheavy-element compounds', Physics of Atomic Nuclei, vol. 66, no. 6, pp. 1152-1162. https://doi.org/10.1134/1.1586430

APA

Titov, A. V., Mosyagin, N. S., Isaev, T. A., & Petrov, A. N. (2003). Accuracy and efficiency of modern methods for electronic structure calculation on heavy- and superheavy-element compounds. Physics of Atomic Nuclei, 66(6), 1152-1162. https://doi.org/10.1134/1.1586430

Vancouver

Titov AV, Mosyagin NS, Isaev TA, Petrov AN. Accuracy and efficiency of modern methods for electronic structure calculation on heavy- and superheavy-element compounds. Physics of Atomic Nuclei. 2003 Jun;66(6):1152-1162. https://doi.org/10.1134/1.1586430

Author

Titov, A. V. ; Mosyagin, N. S. ; Isaev, T. A. ; Petrov, A. N. / Accuracy and efficiency of modern methods for electronic structure calculation on heavy- and superheavy-element compounds. In: Physics of Atomic Nuclei. 2003 ; Vol. 66, No. 6. pp. 1152-1162.

BibTeX

@article{b513ea24c4064e658fe6b7eb19274ee7,
title = "Accuracy and efficiency of modern methods for electronic structure calculation on heavy- and superheavy-element compounds",
abstract = "The methods that are actively used for electronic structure calculations of low-lying states of heavy- and superheavy-element compounds are briefly described. The advantages and disadvantages of the Dirac-Coulomb-Breit Hamiltonian, Huzinaga-type potential, shape-consistent Relativistic Effective Core Potential (RECP), and Generalized RECP are discussed. The nonvariational technique of the electron-structure restoration in atomic cores after the RECP calculation of a molecule is presented. The features of the approaches accounting for electron correlation, the configuration interaction and coupled cluster methods, are also described. The results of calculations on E113, E114, U, and other heavy-atom systems are presented.",
author = "Titov, {A. V.} and Mosyagin, {N. S.} and Isaev, {T. A.} and Petrov, {A. N.}",
year = "2003",
month = jun,
doi = "10.1134/1.1586430",
language = "English",
volume = "66",
pages = "1152--1162",
journal = "Physics of Atomic Nuclei",
issn = "1063-7788",
publisher = "МАИК {"}Наука/Интерпериодика{"}",
number = "6",

}

RIS

TY - JOUR

T1 - Accuracy and efficiency of modern methods for electronic structure calculation on heavy- and superheavy-element compounds

AU - Titov, A. V.

AU - Mosyagin, N. S.

AU - Isaev, T. A.

AU - Petrov, A. N.

PY - 2003/6

Y1 - 2003/6

N2 - The methods that are actively used for electronic structure calculations of low-lying states of heavy- and superheavy-element compounds are briefly described. The advantages and disadvantages of the Dirac-Coulomb-Breit Hamiltonian, Huzinaga-type potential, shape-consistent Relativistic Effective Core Potential (RECP), and Generalized RECP are discussed. The nonvariational technique of the electron-structure restoration in atomic cores after the RECP calculation of a molecule is presented. The features of the approaches accounting for electron correlation, the configuration interaction and coupled cluster methods, are also described. The results of calculations on E113, E114, U, and other heavy-atom systems are presented.

AB - The methods that are actively used for electronic structure calculations of low-lying states of heavy- and superheavy-element compounds are briefly described. The advantages and disadvantages of the Dirac-Coulomb-Breit Hamiltonian, Huzinaga-type potential, shape-consistent Relativistic Effective Core Potential (RECP), and Generalized RECP are discussed. The nonvariational technique of the electron-structure restoration in atomic cores after the RECP calculation of a molecule is presented. The features of the approaches accounting for electron correlation, the configuration interaction and coupled cluster methods, are also described. The results of calculations on E113, E114, U, and other heavy-atom systems are presented.

UR - http://www.scopus.com/inward/record.url?scp=0042574050&partnerID=8YFLogxK

U2 - 10.1134/1.1586430

DO - 10.1134/1.1586430

M3 - Article

AN - SCOPUS:0042574050

VL - 66

SP - 1152

EP - 1162

JO - Physics of Atomic Nuclei

JF - Physics of Atomic Nuclei

SN - 1063-7788

IS - 6

ER -

ID: 11882364