Hybrid variation-perturbation decomposition of SCF interaction energy

Hybrid variation-perturbation decomposition of SCF interaction energy 

Intermolecular interactions determine most properties of gaseous, liquid, solid matter and are responsible for self-organization of biomolecules. Accord- 

In contrast to earlier version of our decomposition [16] electrostatic term is calculated directly from following perturbational expression [4] 

First order exchange energy is defined from the difference 

SCF iteration starting from Schmidt orthogonalized monomer wawefunctions calculated in dimer basis set. 

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