Title of article
Calculation of magnetization by path integral method
Author/Authors
Kawakami، نويسنده , , T. and Nagao، نويسنده , , H. and Mori، نويسنده , , W. and Yamaguchi، نويسنده , , K.، نويسنده ,
Issue Information
دوماهنامه با شماره پیاپی سال 1997
Pages
2
From page
1753
To page
1754
Abstract
Theoretical studies of magnetic properties have been carried out and we have progressed the numerical treatment of those by the path integral method. In this method the numerical partition function can be calculated directly and is applied to numerical studies of the magnetization including temperature effect. The path integral method is formulated by means of the Thouless parametrization and progressed with the Monte Carlo method. We present the numerical calculations for a simple molecular system, i.e. the Cu2+ - H (d9 - s) system, which is related to the Ti3+ - H (d1 - s) system as discussed previously and considered as a hole doped system. Finally, it is found that our method can lead its magnetic behaviors successfully.
Keywords
Ab initio quantum chemical methods and calculations , Magnetic phase transitions
Journal title
Synthetic Metals
Serial Year
1997
Journal title
Synthetic Metals
Record number
2071138
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