Title of article
Theoretical studies of magnetization by ab initio path integral method
Author/Authors
Shigeta، نويسنده , , Y. and Kawakami، نويسنده , , T. and Nagao، نويسنده , , H. and Yamaguchi، نويسنده , , K.، نويسنده ,
Issue Information
دوماهنامه با شماره پیاپی سال 1999
Pages
2
From page
1989
To page
1990
Abstract
According to the Monte-Carlo method in the previous papers[1–4], we investigate the magnetic properties of the d-p system. We employ a model system of Cu2+- CH 3·, which consists of d9 orbital - p orbital pair. The dependencies of the magnetization on the external magnetic field and temperature are discussed in relation to the spin crossover.
Keywords
Ab initio quantum chemical methods and calculations , Magnetic phase transitions
Journal title
Synthetic Metals
Serial Year
1999
Journal title
Synthetic Metals
Record number
2072969
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