Efficient Semiclassical Dynamics for Vibronic Spectroscopy beyond Harmonic, Condon, and Zero-Temperature Approximations

Understanding light-induced processes in biological and human-made molecular systems is one of the main goals of physical chemistry. It has been known for years that the photoinduced dynamics of atomic nuclei can be studied by looking at the vibrational substructure of electronic absorption and emission spectra. However, theoretical simulation is needed to understand how dynamics translates into the spectral features. Here, we review several recent developments in the computation of vibrationally resolved electronic spectra (sometimes simply called 'vibronic' spectra). We present a theoretical approach for computing such spectra beyond the commonly used zero-temperature, Condon, and harmonic approximations. More specifically, we show how the on-the-fly ab initio thawed Gaussian approximation, which partially includes anharmonicity effects, can be combined with the thermo-field dynamics to treat non-zero temperature and with the Herzberg-Teller correction to include non-Condon effects. The combined method, which can treat all three effects, is applied to compute the S1 ← S0 and S2 ← S0 absorption spectra of azulene.

Bhabha scattering in very special relativity at finite temperature

In this paper the differential cross section for Bhabha scattering in the very special relativity (VSR) framework is calculated. The main characteristic of the VSR is to modify the gauge invariance. This leads to different types of interactions appearing in a non-local form. In addition, using the Thermo Field Dynamics formalism, thermal corrections for the differential cross section of Bhabha scattering in VSR framework are obtained.

Gravitational Möller scattering, Lorentz violation and finite temperature

A formal analogy between the gravitational and the electromagnetic fields leads to the notion of Gravitoelectromagnetism (GEM) to describe gravitation. A Lagrangian formulation for GEM is developed for scattering processes with gravitons as an intermediate state, in addition to photons for electromagnetic scattering. The differential cross section is calculated for gravitational Möller scattering based on GEM theory. This gravitational cross section is obtained for cases where the Lorentz symmetry is maintained or violated. The Lorentz violation is introduced with the non-minimal coupling term. In addition, using the Thermo Field Dynamics formalism, thermal corrections to the differential cross section are investigated. By comparing the electromagnetic and GEM versions, of Möller scattering, it is shown that the gravitational effect may be measured at an appropriate energy scale.

Spin-1/2 Particles in Phase Space: Casimir Effect and Stefan-Boltzmann Law at Finite Temperature

The Dirac field, spin 1/2 particles, is investigated in phase space. The Dirac propagator is defined. The Thermo Field Dynamics (TFD) formalism is used to introduce finite temperature. The energy-momentum tensor is calculated at finite temperature. The Stefan-Boltzmann law is established, and the Casimir effect is calculated for the Dirac field in phase space at zero and finite temperature. A comparative analysis with these results in standard quantum mechanics space is realized.

On Regular Black Holes at Finite Temperature

The Thermo Field Dynamics (TFD) formalism is used to investigate the regular black holes at finite temperature. Using the Teleparalelism Equivalent to General Relativity (TEGR), the gravitational Stefan-Boltzmann law and the gravitational Casimir effect at zero and finite temperature are calculated. In addition, the first law of thermodynamics is considered. Then, the gravitational entropy and the temperature of the event horizon of a class of regular black holes are determined.

On Stefan–Boltzmann law and the Casimir effect at finite temperature in the Schwarzschild space–time

This paper deals with quantum field theory in curved space–time using the Thermo Field Dynamics. The scalar field is coupled to the Schwarzschild space–time and then thermalized. The Stefan–Boltzmann law is established at finite temperature and the entropy of the field is calculated. Then the Casimir energy and pressure are obtained at zero and finite temperature.