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Titolo:
Relativistic effects for polarizabilities and hyperpolarizabilities of rare gas atoms
Autore:
Nakajima, T; Hirao, K;
Indirizzi:
Univ Tokyo, Grad Sch Engn, Dept Appl Chem, Tokyo 1138656, Japan Univ Tokyo Tokyo Japan 1138656 ngn, Dept Appl Chem, Tokyo 1138656, Japan
Titolo Testata:
CHEMISTRY LETTERS
fascicolo: 8, , anno: 2001,
pagine: 766 - 767
SICI:
0366-7022(20010805):8<766:REFPAH>2.0.ZU;2-X
Fonte:
ISI
Lingua:
ENG
Soggetto:
ELECTRON-CORRELATION; DIPOLE POLARIZABILITIES; METAL ATOMS; SCHEME; NE;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
15
Recensione:
Indirizzi per estratti:
Indirizzo: Nakajima, T Univ Tokyo, Grad Sch Engn, Dept Appl Chem, Tokyo 1138656, Japan Univ Tokyo Tokyo Japan 1138656 pl Chem, Tokyo 1138656, Japan
Citazione:
T. Nakajima e K. Hirao, "Relativistic effects for polarizabilities and hyperpolarizabilities of rare gas atoms", CHEM LETT, (8), 2001, pp. 766-767

Abstract

The relativistic effects for static polarizabilities a and hyperpolarizabilities gamma of rare gas atoms (Ne through Rn) are investigated theoretically with the third-order Douglas-Kroll method. The results yield interestingtrends of relativity in going from Ne to Rn: The relativistic effect decreases alpha values of Ne and Ar and increases the values of Kr, Xe, and Rn, and it decreases gamma values of Rn slightly and increases the values of other rare gas atoms, while the electron correlation effect increases alpha and gamma of all rare gas atoms.

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Documento generato il 21/09/18 alle ore 07:40:32