Quantum Chemistry for Atoms and Molecules in Strong Magnetic Fields
Quantum Chemistry for Atoms and Molecules in Strong Magnetic Fields
批准号:
22750027
负责人:
NAKASHIMA Hiroyuki
金额:
$2.66万
依托单位国家:
日本
项目类别:
Grant-in-Aid for Young Scientists (B)
财政年份:
2010
资助国家:
日本
项目状态:
已结题
起止时间:
2010 至 2011
中文摘要
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英文摘要
Atoms and molecules in strong magnetic fields are expected to show interesting phenomena due to a complicated coupling between spin-magnetic interaction and electric Coulomb force. In the present study, we have directly solved the Schrodinger and relativistic Dirac equations of atoms and molecules in strong magnetic fields and it makes possible to give quantitative predictions with their very accurate solutions. We have applied our method to the systems interesting in space science and also showed the wide range of application potentiality.
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Relativistic free complement method for correctly solving the Dirac equation with the applications to hydrogen isoelectronic atoms
正确求解狄拉克方程的相对论自由补法及其在氢等电子原子中的应用
DOI:
10.1007/s00214-011-0899-7
发表时间:
2011
期刊:
Theoretical Chemistry Accounts
影响因子:
1.7
作者:
[H. Nakashima, H. Nakatsuji]
通讯作者:
H. Nakatsuji
Solving the Schrodinger equation of hydrogen molecular ion in the magnetic field with the free complement method
自由补体法求解磁场中氢分子离子薛定谔方程
DOI:
--
发表时间:
期刊:
Proceedings of QSCP-XVI
影响因子:
--
作者:
[A. Ishikawa, H. Nakashima, H. Nakatsuji]
通讯作者:
H. Nakatsuji
Solving the Schrodinger and Dirac-Coulomb equations
求解薛定谔方程和狄拉克-库仑方程
DOI:
--
发表时间:
2010
期刊:
影响因子:
--
作者:
[H.Nakashima, H.Nakatsuji]
通讯作者:
H.Nakatsuji
Accurate solutions of the Schrodinger and Dirac equations of H2^+, HD^+, and HT^+: With and without Born-Oppenheimer approximation and under magnetic field
H2^ 、 HD^ 和 HT^ 的薛定谔和狄拉克方程的精确解:有或没有玻恩-奥本海默近似以及在磁场下
DOI:
10.1016/j.chemphys.2011.09.013
发表时间:
2012
期刊:
Chemical Physics
影响因子:
2.3
作者:
[A. Ishikawa, H. Nakashima, H. Nakatsuji]
通讯作者:
H. Nakatsuji
Analytical evaluations of exponentially correlated unlinked one-center, three-and four-electron integrals
指数相关的非链接一中心、三和四电子积分的分析评估
DOI:
10.1103/physreva.85.042512
发表时间:
2012
期刊:
Physical Review A
影响因子:
2.9
作者:
[C. Wang, P. Mei, Y. Kurokawa, H. Nakashima, H. Nakatsuji]
通讯作者:
H. Nakatsuji
共 11 条
Accurate Quantum Chemistry for Space and Ultimate Science
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批准号:24654184
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项目类别:Grant-in-Aid for Challenging Exploratory Research
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资助金额:$2.5万
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财政年份:2012
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负责人:NAKASHIMA Hiroyuki
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依托单位:
Experimental Study on Thrombosis of Aneurysms with Cellulose Acetate Polymer
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批准号:07457318
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项目类别:Grant-in-Aid for Scientific Research (B)
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资助金额:$4.1万
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财政年份:1995
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负责人:NAKASHIMA Hiroyuki
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依托单位: