scholarly journals Calculating vibrational spectra with sum of product basis functions without storing full-dimensional vectors or matrices

2014 ◽  
Vol 140 (17) ◽  
pp. 174111 ◽  
Author(s):  
Arnaud Leclerc ◽  
Tucker Carrington
Keyword(s):  
Vibrational Spectra ◽  
Basis Functions

Other Applications of Neural Networks to Quantum Mechanical Problems

2012 ◽  
Author(s):  
Lionel Raff ◽  
Ranga Komanduri ◽  
Martin Hagan ◽  
Satish Bukkapatnam
Keyword(s):  
Neural Networks ◽  
Wave Function ◽  
Linear Combination ◽  
Vibrational Spectra ◽  
Schrodinger Equation ◽  
Usual Method ◽  
Basis Functions ◽  
Wave Functions ◽  
Quantum Mechanical ◽  
Vibrational Wave Function

The usual method for solving the vibrational Schrödinger equation to obtain molecular vibrational spectra and the associated wave functions generally involves the expansion of the vibrational wave function, ψk(y), in terms of a linear combination of a set of basis functions.

scholarly journals Comparison of different eigensolvers for calculating vibrational spectra using low-rank, sum-of-product basis functions

2016 ◽  
Vol 115 (15-16) ◽  
pp. 1740-1749 ◽  
Author(s):  
Arnaud Leclerc ◽  
Phillip S. Thomas ◽  
Tucker Carrington
Keyword(s):  
Vibrational Spectra ◽  
Basis Functions ◽  
Low Rank
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