Deformed Explicitly Correlated Gaussians
No Thumbnail Available
Date
2022-12
Authors
Journal Title
Journal ISSN
Volume Title
Publisher
Vanderbilt University. Dept. of Physics and Astronomy
Abstract
Strong coupling of cavity electromagnetic modes and molecules has emerged as
an area of intense theoretical and experimental interest. Such systems are of
particular interest due to their ability to modify the physical and chemical properties of materials. In this work, I use a stochastic variational method (SVM)
to construct optimized light-matter coupled wave function. By using SVMs to
select the best basis states, we are able to achieve highly accurate energies and
wave functions. In this work, I will be solving for the Pauli-Fierz (PF) nonrelativistic QED Hamiltonian. In this work I will introduce a new basis type
Deformed Explicitly Correlated Gaussians (DECGs). DECGs are a modified
form of explicitly correlated Gaussians (ECGs) where the basis is chosen such
that the dipole self-interaction term can be eliminated. These calculations will
be compared to those performed with traditional ECGs, demonstrating their
superiority in cases where a non-spherical potential exists, such as the dipole
self-interaction term.
Description
Keywords
Quantum Information Science, Cavity QED, Deformed Explicitly Correlated Gaussians