نتایج جستجو برای: chemical equilibrium

تعداد نتایج: 499294  

Journal: :Journal of Mathematical Analysis and Applications 1969

Journal: :The Journal of chemical physics 2006
Arteum D Bochevarov Berhane Temelso C David Sherrill

Moller-Plesset second-order (MP2) perturbation theory remains the least expensive standard ab initio method that includes electron correlation, scaling as O(N5) with the number of molecular orbitals N. Unfortunately, when restricted Hartree-Fock orbitals are employed, the potential energy curves calculated with this method are of little use at large interatomic separations because of the diverg...

Journal: :Journal of Physics G: Nuclear and Particle Physics 2007

Journal: :Modern Technologies and Scientific and Technological Progress 2019

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