Related papers: Finite-temperature, anharmonicity, and Duschinsky …
We present a numerically exact approach for evaluating vibrationally resolved electronic spectra at finite temperatures using the coherence thermofield dynamics. In this method, which avoids implementing an algorithm for solving the von…
Ab initio computation of two-dimensional electronic spectra is an expanding field, whose goal is improving upon simple, few-dimensional models often employed to explain experiments. Here, we propose an accurate and computationally…
Convenient Cutkosky-like diagrammatic rules for computing the spectral densities of arbitrary two-point correlation functions in finite temperature field theory are derived. The approach is based on an explicit analytic continuation of…
To compute and analyze vibrationally resolved electronic spectra at zero temperature, we have recently implemented the on-the-fly ab initio extended thawed Gaussian approximation [A. Patoz et al., J. Phys. Chem. Lett. 9, 2367 (2018)], which…
We combine the semiclassical Herman--Kluk approximation with the coherence thermofield dynamics in order to evaluate vibrationally resolved electronic spectra at nonzero temperatures. In coherence thermofield dynamics, the dipole time…
We examine the role of thermal fluctuations in uniform two-dimensional binary Bose mixtures of dilute ultracold atomic gases. We use a mean-field Hartree-Fock theory to derive analytical predictions for the miscible-immiscible transition. A…
Wave-function methods have offered a robust, systematically improvable means to study ground-state properties in quantum many-body systems. Theories like coupled cluster and their derivatives provide highly accurate approximations to the…
We present closed analytical expressions for the particle and kinetic energy spatial densities at finite temperatures for a system of noninteracting fermions (bosons) trapped in a d-dimensional harmonic oscillator potential. For d=2 and 3,…
We develop a finite-temperature perturbation theory for quasi-one-dimensional quantum spin systems, in the manner suggested by H.J. Schulz (1996) and use this formalism to study their dynamical response. The corrections to the random-phase…
The Gaussian wavefunctional approach is developed in thermofield dynamics. We manufacture thermal vacuum wavefunctional, its creation as well as annihilation operators,and accordingly thermo-particle excited states. For a (D+1)-dimensional…
Applying the thermo field dynamics, we reformulate exact quantum number projection in the finite-temperature Hartree-Fock-Bogoliubov theory. Explicit formulae are derived for the simultaneous projection of particle number and angular…
Thermal duality, which relates the physics of closed strings at temperature T to the physics at the inverse temperature 1/T, is one of the most intriguing features of string thermodynamics. Unfortunately, the classical definitions of…
Simulating vibrationally resolved electronic spectra of anharmonic systems, especially those involving double-well potential energy surfaces, often requires expensive quantum dynamics methods. Here, we explore the applicability and…
Thermofield dynamics has proven to be a very useful theory in high-energy physics, particularly since it permits the treatment of both time- and temperature-dependence on an equal footing. We here show that it also has an excellent…
For complex molecules, nuclear degrees of freedom can act as an environment for the electronic `system' variables, allowing the theory and concepts of open quantum systems to be applied. However, when molecular system-environment…
The recent advancement of quantum computer hardware offers the potential to simulate quantum many-body systems beyond the capability of its classical counterparts. However, most current works focus on simulating the ground-state properties…
We present a flexible density-matrix renormalization group approach to calculate finite-temperature spectral functions of one-dimensional strongly correlated quantum systems. The method combines the purification of the finite-temperature…
Multidimensional spectroscopy unveils the interplay of nuclear and electronic dynamics, which characterizes the ultrafast dynamics of various molecular and solid-state systems. In a class of models widely used for the simulation of such…
We consider the finite-temperature frequency and momentum dependent two-point functions of local operators in integrable quantum field theories. We focus on the case where the zero temperature correlation function is dominated by a…
This is a short review on the thermal, spectral representation in the real-time version of the finite temperature quantum field theory. After presenting a clear derivation of the spectral representation, we discuss the properties of its…