Related papers: Quantum Chemistry at Finite Temperature
We compute the quantum correlation (quantum discord (QD)) and the entanglement (EoF) between nearest neighbor qubits (spin-1/2) in an infinite chain described by the Heisenberg model (XXZ Hamiltonian) at finite temperatures. The chain is in…
This thesis is devoted to studying two tasks: refrigeration and the creation of correlations. In the refrigeration part, two different paradigms of cooling, namely coherent and incoherent, are defined. The connection that these paradigms…
We consider a strongly interacting quantum dot connected to two leads held at quite different temperatures. Our aim is to study the behavior of the Kondo effect in the presence of large thermal biases. We use three different approaches,…
In recent years, quantum phase transitions have attracted the interest of both theorists and experimentalists in condensed matter physics. These transitions, which are accessed at zero temperature by variation of a non-thermal control…
I discuss quarkonium physics at finite temperature in the framework of nonrelativistic effective field theories.
Finite temperature auxiliary field-based Quantum Monte Carlo methods, including Determinant Quantum Monte Carlo (DQMC) and Auxiliary Field Quantum Monte Carlo (AFQMC), have historically assumed pivotal roles in the investigation of the…
We study the dynamics of a quantum particle coupled to dissipative (ohmic) environments, such as an electron liquid. For some choices of couplings, the properties of the particle can be described in terms of an effective mass. A particular…
We have developed and implemented a new quantum molecular dynamics approximation that allows fast and accurate simulations of dense plasmas from cold to hot conditions. The method is based on a carefully designed orbital-free implementation…
We propose the non-relativistic finite temperature quantum wave equations for a single particle and multiple particles. We give the relation between energy eigenvalues, eigenfunctions, transition frequency and temperature, and obtain some…
As the dimensions of a conductor approach the nano-scale, quantum effects will begin to dominate its behavior. This entails the exciting possibility of controlling the conductance of a device by direct manipulation of the electron wave…
A quantum system can undergo a continuous phase transition at the absolute zero of temperature as some parameter entering its Hamiltonian is varied. These transitions are particularly interesting for, in contrast to their classical finite…
Chemically accurate and comprehensive studies of the virtual space of all possible molecules are severely limited by the computational cost of quantum chemistry. We introduce a composite strategy that adds machine learning corrections to…
We report model calculations of the time-dependent internal energy and entropy for a single quasi-free massive quantum particle at a constant temperature. We show that the whole process started from a fully coherent quantum state to…
Continuing the investigation started in a previous work, we consider form factors of integrable quantum field theories in finite volume, extending our investigation to matrix elements with disconnected pieces. Numerical verification of our…
Quantum criticality, being important as an indicator of new quantum matters emerging, is known to occur only at zero or low temperature. We find that a quantum probe, if its coherence time is long, can detect quantum criticality at…
We investigate the effects of finite temperature on ultracold Bose atoms confined in an optical lattice plus a parabolic potential in the Mott insulator state. In particular, we analyze the temperature dependence of the density distribution…
We have analytically explored thermodynamics of free Bose and Fermi gases for the entire range of temperature, and have extended the same for harmonically trapped cases. We have obtained approximate chemical potentials of the quantum gases…
We consider quenches of a quantum system that is prepared in a canonical equilibrium state of one Hamiltonian and then evolves unitarily in time under a different Hamiltonian. Technically, our main result is a systematic expansion of the…
A short introduction on quantum thermodynamics is given and three new topics are discussed: 1) Maximal work extraction from a finite quantum system. The thermodynamic prediction fails and a new, general result is derived, the ``ergotropy''.…
Nuclear quantum effects (NQE) tend to generate delocalized molecular dynamics due to the inclusion of the zero point energy and its coupling with the anharmonicities in interatomic interactions. Here, we present evidence that NQE often…