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Deformed explicitly correlated Gaussians.
- Source :
-
Journal of Chemical Physics . 12/7/2021, Vol. 155 Issue 21, p1-14. 14p. - Publication Year :
- 2021
-
Abstract
- Deformed explicitly correlated Gaussian (DECG) basis functions are introduced, and their matrix elements are calculated. All matrix elements can be calculated analytically in a closed form, except the Coulomb one, which has to be approximated by a Gaussian expansion. The DECG basis functions can be used to solve problems with nonspherical potentials. One example of such potential is the dipole self-interaction term in the Pauli–Fierz Hamiltonian. Examples are presented showing the accuracy and necessity of deformed Gaussian basis functions to accurately solve light–matter coupled systems in cavity QED. [ABSTRACT FROM AUTHOR]
- Subjects :
- *PROBLEM solving
*GAUSSIAN function
*QUANTUM electrodynamics
Subjects
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 155
- Issue :
- 21
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 154049055
- Full Text :
- https://doi.org/10.1063/5.0066427