Force Based Canonical Approximation of Molecular Potentials: Average Force versus Pointwise Force

Walton, JR; Rivera-Rivera, LA

Walton, JR (corresponding author), Texas A&M Univ, Dept Math, College Stn, TX 77843 USA.; Rivera-Rivera, LA (corresponding author), Ferris State Univ, Dept Phys Sci, Big Rapids, MI 49307 USA.

JOURNAL OF PHYSICAL CHEMISTRY A, 2020; 124 (8): 1648

Abstract

This work presents a new force-based canonical approach that utilizes the average force rather than the pointwise force, on which previously developed......

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