Stochastic Variational Approach to Small Atoms and Molecules Coupled to Quantum Field Modes

Abstract

In this work, we present a stochastic variational calculation (SVM) of energies and wave functions of few particle systems coupled to quantum fields in cavity QED. The light-matter coupled system is described by the Pauli-Fierz Hamiltonian. The spatial wave function and the photon spaces are optimized by a random selection process. Examples for a two-dimensional trion and confined electrons as well as for the He atom and the Hydrogen molecule are presented showing that the light-matter coupling drastically changes the electronic states.

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Cited by in corpus (5)

• Assessing the Effects of Orbital Relaxation and the Coherent-State Transformation in Quantum Electrodynamics Density Functional and Coupled-Cluster Theories
• Real-Space, Real-Time Approach to Quantum-Electrodynamical Time-Dependent Density Functional Theory
• Reduced-density-matrix-based ab initio cavity quantum electrodynamics
• Understanding polaritonic chemistry from ab initio quantum electrodynamics
• Impact of dipole self-energy on cavity-induced nonadiabatic dynamics