Matrix elements of vibration kinetic energy operator of tetrahedral molecules in non-orthogonal-dependent coordinates
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DOI: 10.1080/00268976.2017.1366568
Abstract: ABSTRACT In this work, we propose an algorithm for calculating the matrix elements of the kinetic energy operator for tetrahedral molecules. This algorithm uses the dependent six-angle coordinates (6A) and takes into account the full… read more here.
Keywords: matrix elements; operator tetrahedral; kinetic energy; energy operator ... See more keywords