FARCE
发表于 2025-3-21 16:48:04
书目名称Geometrical Derivatives of Energy Surfaces and Molecular Properties影响因子(影响力)<br> http://figure.impactfactor.cn/if/?ISSN=BK0383650<br><br> <br><br>书目名称Geometrical Derivatives of Energy Surfaces and Molecular Properties影响因子(影响力)学科排名<br> http://figure.impactfactor.cn/ifr/?ISSN=BK0383650<br><br> <br><br>书目名称Geometrical Derivatives of Energy Surfaces and Molecular Properties网络公开度<br> http://figure.impactfactor.cn/at/?ISSN=BK0383650<br><br> <br><br>书目名称Geometrical Derivatives of Energy Surfaces and Molecular Properties网络公开度学科排名<br> http://figure.impactfactor.cn/atr/?ISSN=BK0383650<br><br> <br><br>书目名称Geometrical Derivatives of Energy Surfaces and Molecular Properties被引频次<br> http://figure.impactfactor.cn/tc/?ISSN=BK0383650<br><br> <br><br>书目名称Geometrical Derivatives of Energy Surfaces and Molecular Properties被引频次学科排名<br> http://figure.impactfactor.cn/tcr/?ISSN=BK0383650<br><br> <br><br>书目名称Geometrical Derivatives of Energy Surfaces and Molecular Properties年度引用<br> http://figure.impactfactor.cn/ii/?ISSN=BK0383650<br><br> <br><br>书目名称Geometrical Derivatives of Energy Surfaces and Molecular Properties年度引用学科排名<br> http://figure.impactfactor.cn/iir/?ISSN=BK0383650<br><br> <br><br>书目名称Geometrical Derivatives of Energy Surfaces and Molecular Properties读者反馈<br> http://figure.impactfactor.cn/5y/?ISSN=BK0383650<br><br> <br><br>书目名称Geometrical Derivatives of Energy Surfaces and Molecular Properties读者反馈学科排名<br> http://figure.impactfactor.cn/5yr/?ISSN=BK0383650<br><br> <br><br>
Calculus
发表于 2025-3-21 21:07:24
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Frisky
发表于 2025-3-22 02:36:25
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ABOUT
发表于 2025-3-22 05:12:56
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cleaver
发表于 2025-3-22 08:59:56
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语源学
发表于 2025-3-22 13:01:54
MCSCF Analytical Energy Derivatives Using a Response Function Approach,Using the response function approach it is shown how the formal expressions may be derived for the MCSCF molecular gradient and Hessian.
语源学
发表于 2025-3-22 18:25:26
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节省
发表于 2025-3-22 23:17:09
MBPT Evaluation of Energy Derivatives Using Fock-Operator Methods,A general theory of differentiation of the energy with respect to many variables is introduced. One of these variables may be the electron correlation parameter introduced in Moller-Plesset theory. Cross derivatives then lead to expressions for the effect of correlation on various physical properties of molecules.
积云
发表于 2025-3-23 03:16:28
The Calculation of Dipole Moment and Polarizability Derivatives with SCF Wavefunctions,The techniques required for the evaluation of dipole moment and polarizability derivatives are discussed. Several alternative formulae are given for the polarizability derivatives.
CLAMP
发表于 2025-3-23 08:47:44
Geometrical Derivatives of Frequency-Dependent Properties,Response functions and susceptibilities through third order have been developed. Geometrical derivatives relevant for Raman- and hyper-Raman spectroscopy are obtained. The derivatives of one- and two- photon transition matrix elements are derived. Direct MCSCF techniques can be invoked to calculate the derivatives.