Conformist
发表于 2025-3-21 16:12:24
书目名称Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials影响因子(影响力)<br> http://figure.impactfactor.cn/if/?ISSN=BK0781565<br><br> <br><br>书目名称Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials影响因子(影响力)学科排名<br> http://figure.impactfactor.cn/ifr/?ISSN=BK0781565<br><br> <br><br>书目名称Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials网络公开度<br> http://figure.impactfactor.cn/at/?ISSN=BK0781565<br><br> <br><br>书目名称Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials网络公开度学科排名<br> http://figure.impactfactor.cn/atr/?ISSN=BK0781565<br><br> <br><br>书目名称Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials被引频次<br> http://figure.impactfactor.cn/tc/?ISSN=BK0781565<br><br> <br><br>书目名称Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials被引频次学科排名<br> http://figure.impactfactor.cn/tcr/?ISSN=BK0781565<br><br> <br><br>书目名称Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials年度引用<br> http://figure.impactfactor.cn/ii/?ISSN=BK0781565<br><br> <br><br>书目名称Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials年度引用学科排名<br> http://figure.impactfactor.cn/iir/?ISSN=BK0781565<br><br> <br><br>书目名称Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials读者反馈<br> http://figure.impactfactor.cn/5y/?ISSN=BK0781565<br><br> <br><br>书目名称Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials读者反馈学科排名<br> http://figure.impactfactor.cn/5yr/?ISSN=BK0781565<br><br> <br><br>
FAWN
发表于 2025-3-21 21:56:24
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STERN
发表于 2025-3-22 04:10:34
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闲逛
发表于 2025-3-22 05:14:31
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小臼
发表于 2025-3-22 11:22:50
Ab-Initio Approaches to the Quantum-Mechanical Treatment of periodic Systems,A general overview is proposed of the different strategies that are currently adopted for the . study of the electronic structure of periodic systems.
Androgen
发表于 2025-3-22 15:15:01
Numerical Integration in Density Functional Methods with Linear Combination of Atomic Orbitals,The generalization of Becke’s numerical integration scheme to periodic functions is presented, which allows the LCAO-Kohn-Sham equations for crystals to be solved efficiently. The computational implementation of the scheme and its calibration are briefly discussed.
玩笑
发表于 2025-3-22 20:02:01
Hartree-Fock Treatment of Spin-Polarized Crystals,A brief introduction to the Hartree-Fock method for spin-polarized crystalline systems is presented, together with a description of a few applications.
justify
发表于 2025-3-22 23:41:31
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彩色
发表于 2025-3-23 03:36:19
The CRYSTAL code,The structure of the CRYSTAL code is analysed. This code permits the calculation of the wavefunction and properties of crystalline systems, using a Hartree-Fock Linear-Combination-of-Atomic-Orbitals (HF-LCAO) approximation. Both the theory and the practical implementation of the equations are discussed.
邪恶的你
发表于 2025-3-23 07:45:25
Total Energy and Related Properties,Computational aspects related to the evaluation of total energy and energy-related properties with quantum mechanical programs are discussed; examples are reported, with reference to the Hartree-Fock periodic LCAO CRYSTAL code.