Diverticulum
发表于 2025-3-21 18:55:11
书目名称Many-Electron Approaches in Physics, Chemistry and Mathematics影响因子(影响力)<br> http://impactfactor.cn/if/?ISSN=BK0623691<br><br> <br><br>书目名称Many-Electron Approaches in Physics, Chemistry and Mathematics影响因子(影响力)学科排名<br> http://impactfactor.cn/ifr/?ISSN=BK0623691<br><br> <br><br>书目名称Many-Electron Approaches in Physics, Chemistry and Mathematics网络公开度<br> http://impactfactor.cn/at/?ISSN=BK0623691<br><br> <br><br>书目名称Many-Electron Approaches in Physics, Chemistry and Mathematics网络公开度学科排名<br> http://impactfactor.cn/atr/?ISSN=BK0623691<br><br> <br><br>书目名称Many-Electron Approaches in Physics, Chemistry and Mathematics被引频次<br> http://impactfactor.cn/tc/?ISSN=BK0623691<br><br> <br><br>书目名称Many-Electron Approaches in Physics, Chemistry and Mathematics被引频次学科排名<br> http://impactfactor.cn/tcr/?ISSN=BK0623691<br><br> <br><br>书目名称Many-Electron Approaches in Physics, Chemistry and Mathematics年度引用<br> http://impactfactor.cn/ii/?ISSN=BK0623691<br><br> <br><br>书目名称Many-Electron Approaches in Physics, Chemistry and Mathematics年度引用学科排名<br> http://impactfactor.cn/iir/?ISSN=BK0623691<br><br> <br><br>书目名称Many-Electron Approaches in Physics, Chemistry and Mathematics读者反馈<br> http://impactfactor.cn/5y/?ISSN=BK0623691<br><br> <br><br>书目名称Many-Electron Approaches in Physics, Chemistry and Mathematics读者反馈学科排名<br> http://impactfactor.cn/5yr/?ISSN=BK0623691<br><br> <br><br>
确认
发表于 2025-3-21 22:24:04
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节省
发表于 2025-3-22 02:17:00
978-3-319-34304-4Springer International Publishing Switzerland 2014
CRUMB
发表于 2025-3-22 05:27:06
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阴谋小团体
发表于 2025-3-22 11:03:57
Towards the Computational Design of Compounds from First Principles minimization of objective functions in chemical compound space. We discuss applications involving high-throughput calculations, stochastic algorithms, gradients, and hybrids thereof. Recent efforts based on machine learning in chemical compound space are also mentioned.
详细目录
发表于 2025-3-22 14:01:18
Mathematical Aspects of Density Functionals and Density Matrix Functionals in Quantum Chemistry approximations for the exchange correlations—the Hartree–Fock approximation, the local density approximation, and the Müller approximation—are defined and discussed. The G-, P-, Q-Conditions and also the .- and .-Conditons deriving from .-representability are introduced and used to derive lower bounds on the ground state energy.
trigger
发表于 2025-3-22 17:58:35
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为现场
发表于 2025-3-22 21:17:57
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茁壮成长
发表于 2025-3-23 04:18:20
Spurious Modes in Dirac Calculations and How to Avoid ThemIn this paper we consider the problem of the occurrence of spurious modes when computing the eigenvalues of Dirac operators, with the motivation to describe relativistic electrons in an atom or a molecule. We present recent mathematical results which we illustrate by simple numerical experiments. We also discuss open problems.
fiscal
发表于 2025-3-23 06:45:52
The Quantum Energy Agrees with the Müller Energy up to Third OrderWe show that the ground state energy . of the Müller functional of (neutral) atoms of atomic number . equals to the quantum mechanical ground state energy . up order ., i.e., .