Titlebook: Density Functional Theory in Quantum Chemistry; Takao Tsuneda Book 2014 Springer Japan 2014 Density Functional Theory.Exchange-correlation

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书目名称Density Functional Theory in Quantum Chemistry影响因子(影响力)学科排名




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书目名称Density Functional Theory in Quantum Chemistry网络公开度学科排名




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书目名称Density Functional Theory in Quantum Chemistry被引频次学科排名




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书目名称Density Functional Theory in Quantum Chemistry年度引用学科排名




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书目名称Density Functional Theory in Quantum Chemistry读者反馈学科排名

Humble

,Hartree–Fock Method, Hartree–Fock calculation, are concretely explained in Sect. 2.7. As an extension of the Hartree–Fock method to the open-shell case, the unrestricted Hartree–Fock (UHF) method is reviewed in Sect. 2.8. The electronic states of atoms are finally discussed as an achievement of the Hatree–Fock method,

shrill

,Kohn–Sham Method,is explained, and as a consequence of this method, it is clarified why the Kohn–Sham method can accurately reproduce chemical behavior in Sect. 4.5. Finally, the time-dependent and coupled-perturbed Kohn–Sham methods are reviewed as methods with which to apply the Kohn–Sham method to calculations of

不开心

Corrections for Functionals,, is also briefly reviewed, with the derivations and development concepts of these corrections, in Sect. 6.4. Finally, the vector potential correction for describing magnetic properties and current is explained, with derivations and applications, in Sect. 6.5.

MOAT

impaction

impaction

https://doi.org/10.1007/978-3-658-15085-3 Hartree–Fock calculation, are concretely explained in Sect. 2.7. As an extension of the Hartree–Fock method to the open-shell case, the unrestricted Hartree–Fock (UHF) method is reviewed in Sect. 2.8. The electronic states of atoms are finally discussed as an achievement of the Hatree–Fock method,

使成核

Drifting in Four Epistemic Traditions,is explained, and as a consequence of this method, it is clarified why the Kohn–Sham method can accurately reproduce chemical behavior in Sect. 4.5. Finally, the time-dependent and coupled-perturbed Kohn–Sham methods are reviewed as methods with which to apply the Kohn–Sham method to calculations of

Armory

https://doi.org/10.1007/978-1-4419-6917-0, is also briefly reviewed, with the derivations and development concepts of these corrections, in Sect. 6.4. Finally, the vector potential correction for describing magnetic properties and current is explained, with derivations and applications, in Sect. 6.5.

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