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Performance of relativistic density functional and ab initio pseudopotential approaches for systems with high spin multiplicities. Gadolinium diatomics GdX (X = H, N, O, F, P, S, Cl, Gd)

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Journal:Int. J. Quantum Chem

All the Authors:W. Liu,S. Kalvoda

First Author:M. Dolg*

Volume:76

Issue:3

Page Number:359-370

Translation or Not:no

Date of Publication:2000-02-01

Attachments:

Pre One:Relativistic MCSCF by means of quasi-degenerate direct perturbation theory. II. Preliminary application

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