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
Link To Document :
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