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[会议论文] 作者:T.D.Kim,P.W.Ayers,F.Heidar-Zadeha,P.Bultinck,
来源:The 15th ICQC International Congress of Quantum Chemistry(第1 年份:2015
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[会议论文] 作者:T.D.Kim,F.Heidar-Zadeha,P.Bultinck,P.W.Ayers,
来源:The 15th ICQC International Congress of Quantum Chemistry(第1 年份:2015
Mulliken population analysis,while simple and mathematically elegant,often gives chemically unreasonable charges and erratic trends for large basis sets,especially if the basis sets include diffuse fu...
[会议论文] 作者:F.Heidar-Zadeh,P.Bultinck,Toon Verstraelen,P.W.Ayers,
来源:The 15th ICQC International Congress of Quantum Chemistry(第1 年份:2015
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Antisymmetric products of nonorthogonal geminalsa new twist on an old approach to strong electron co
[会议论文] 作者:P.W.Ayers,K.Boguslawski,P.Bultinck,S.De Baerdemacker,P.A.Johnson,P.A.Limacher,P.Tecmer,D.Van Neck,
来源:The 15th ICQC International Congress of Quantum Chemistry(第1 年份:2015
The correlation between different electrons motions is mostly local(electrons that are far from each other tend to move independently) and it is dominated by th...
[会议论文] 作者:S.De Baerdemacker,P.W.Ayers,K.Boguslawski,P.Bultinck,P.W.Claeys,P.A.Johnson,P.A.Limacher,P.Tecmer,M.Van,
来源:The 15th ICQC International Congress of Quantum Chemistry(第1 年份:2015
Strong electron correlation is at the heart of chemical bonding.The intuitive picture is provided by General Valence Bond(GVB) theory,describing the chemical bo...
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