Ab initio computations of effective exchange integrals for H–H, H–He–H and Mn2O2 complex: comparison of broken-symmetry approaches

Ab initio computations of effective exchange integrals for H–H, H–He–H and Mn2O2 complex: comparison of broken-symmetry approaches

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Bibliographic Details
Published in:Chemical physics letters Vol. 319; no. 3-4; pp. 223 - 230
Main Authors: Soda, T., Kitagawa, Y., Onishi, T., Takano, Y., Shigeta, Y., Nagao, H., Yoshioka, Y., Yamaguchi, K.
Format: Journal Article
Language:English
Published: 01-03-2000
Online Access:Get full text
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Description
ISSN:0009-2614
DOI:10.1016/S0009-2614(00)00166-4