scholarly journals Erratum: “Kinetic-energy matrix elements for atomic Hylleraas-CI wave functions” [J. Chem. Phys. 144, 204110 (2016)]

2016 ◽  
Vol 145 (12) ◽  
pp. 129901 ◽  
Author(s):  
Frank E. Harris
Keyword(s):  
Kinetic Energy ◽  
Chem Phys ◽  
Wave Functions ◽  
Matrix Elements ◽  
Energy Matrix

Kinetic Energy Matrix Elements for Linear Molecules

1951 ◽  
Vol 19 (7) ◽  
pp. 982-983 ◽  
Author(s):  
Salvador M. Ferigle ◽  
Arnold G. Meister
Keyword(s):  
Kinetic Energy ◽  
Matrix Elements ◽  
Energy Matrix ◽  
Linear Molecules

scholarly journals Analytical angular solutions for the atom–diatom interaction potential in a basis set of products of two spherical harmonics: two approaches

2021 ◽  
Author(s):  
Mariusz Pawlak ◽  
Marcin Stachowiak
Keyword(s):  
Spherical Harmonics ◽  
Interaction Potential ◽  
Chem Phys ◽  
Basis Set ◽  
Matrix Elements ◽  
Trigonometric Functions ◽  
Variational Theory ◽  
Molecular Collision ◽  
The Matrix ◽  
Analytical Expressions

AbstractWe present general analytical expressions for the matrix elements of the atom–diatom interaction potential, expanded in terms of Legendre polynomials, in a basis set of products of two spherical harmonics, especially significant to the recently developed adiabatic variational theory for cold molecular collision experiments [J. Chem. Phys. 143, 074114 (2015); J. Phys. Chem. A 121, 2194 (2017)]. We used two approaches in our studies. The first involves the evaluation of the integral containing trigonometric functions with arbitrary powers. The second approach is based on the theorem of addition of spherical harmonics.

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