解冻
发表于 2025-3-23 11:56:33
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caldron
发表于 2025-3-23 14:21:10
On Auxiliary Functions in Molecular Integrals,resented. The review is preceded by an outline of a few concepts from graph theory -- the subject of current intensive interest of the author. Graphs already play useful role in molecular calculations, even in some problems involving molecular integrals and graph theory deserves a better exposure. I
Infiltrate
发表于 2025-3-23 20:28:13
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发出眩目光芒
发表于 2025-3-23 22:52:52
Pluralismustheoretiker und ihre Kritikere solemn direction, the contribution suggests that overlap integrals play a role of auxiliary functions and some hope is expressed that additional molecular integrals will be expressed in terms of general overlap integrals or as some function of overlap integrals.
商品
发表于 2025-3-24 03:04:10
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隐语
发表于 2025-3-24 07:35:18
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carotenoids
发表于 2025-3-24 13:41:16
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Clumsy
发表于 2025-3-24 16:36:01
Experience Using Spherical Harmonic Expansions to Evaluate Molecular Integrals,metrical parameters of the three centers (2 inter-nuclear distances and one angle) in terms of an infinite series of Legendre polynomials of the cosine of the angle, then the formula is equivalent to the one obtained by using spherical harmonic expansions about one nucleus.
骄傲
发表于 2025-3-24 21:03:28
Translation of Angular Momentum Eigenfunctions Using Numerical Spherical Bessel Transforms,be eliminated by removing the cusp using a counter term for which analytic results are known. A brief discussion of the possibility of applying the logarithmic coordinate spherical Bessel transform method to the multicenter integral problem is included.
BARK
发表于 2025-3-25 02:05:53
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