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This document summarizes a research article that presents a numerical method for solving the Schrödinger equation describing hindered internal rotation in molecules. Specifically, it introduces a finite-difference boundary-value method that is well-suited for periodic problems like internal rotation. The method works by discretizing the rotational coordinate into a mesh and using central finite differences to approximate the second derivative in the Schrödinger equation, leading to a system of algebraic equ

Author

Aitor Pastor

Language

EN