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Deformed explicitly correlated Gaussians
Matthew Beutel1, Alexander Ahrens1, Chenhang Huang1
1Department of Physics and Astronomy, Vanderbilt University, Nashville, Tennessee 37235, USA.
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.
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