Calculation of interaction energy of an atom and a molecule in lumpac
Answers
Answer:
n the semiempirical atom–atom potentials that have to be used to account for exchange repulsion and dispersion forces. This study is aimed at the evaluation of the accuracy of the calculation of electrostatic interaction energies with the
Published in:
Journal of Computational Chemistry · 2004
Authors:
Anatoliy Volkov · Philip Coppens
Affiliation:
University at Buffalo
About:
Charge density · Atoms in molecules · Lactic acid · Molecular recognition ·
Explanation:
In physics, interaction energy is the contribution to the total energy that is caused by an interaction between the objects being considered. The interaction energy usually depends on the relative position of the objects. For example, is the electrostatic interaction energy between two objects with charges, .