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The computation of vibrational spectra of diatomic molecules through the exact diagonalization of algebraically determined matrixes based on powers of Morse coordinates is made substantially more efficient by choosing a properly adapted…

Chemical Physics · Physics 2016-09-28 Andrea Bordoni , Nicola Manini

One-dimensional ideal diatomic gas is simulated through possible types of motion of a molecule. Energy of each type of its motion is calculated from theory and numerical method. Calculation of kinetic energy of an atom in…

Chemical Physics · Physics 2014-02-11 Siti Nurul Khotimah , Sparisoma Viridi , Widayani , Abdul Waris

We investigate a quantum heat engine with a working substance of two particles, one with a spin $1/2$ and the other with an arbitrary spin (spin $s$), coupled by Heisenberg exchange interaction, and subject to an external magnetic field.…

Quantum Physics · Physics 2016-08-07 Ferdi Altintas , Özgür E. Müstecaplıoğlu

We consider a finite time quantum heat engine analogous to finite time classical Carnot heat engine with a working substance of spin half particles. We study the efficiency at maximum $\dot{\Omega}$ figure of merit of the quantum heat…

Quantum Physics · Physics 2023-12-05 K. Nilavarasi , M. Ponmurugan

Considering ideal paramagnetic medium, in this paper we deduced an expression for the thermal efficiency of Carnot heat engine with a paramagnetic gas as working substance. We found that the efficiency depends on the limits of maximum and…

Statistical Mechanics · Physics 2019-05-17 Manuel Malaver

We present a quantum Otto engine model consisting of two isochoric and two adiabatic strokes, where the adiabatic expansion or compression is realized by adiabatically changing the shape of the potential. Here we show that such an adiabatic…

Quantum Physics · Physics 2022-02-15 Kai Li , Yang Xiao , Jizhou He , Jianhui Wang

We study the optimal performance of Carnot-like heat engines working in low dissipation regime using the product of the efficiency and the power output, also known as the efficient power, as our objective function. Efficient power function…

Statistical Mechanics · Physics 2018-12-26 Varinder Singh , Ramandeep S. Johal

The unavoidable irreversible losses of power in a heat engine are found to be of quantum origin. Following thermodynamic tradition a model quantum heat engine operating by the Otto cycle is analyzed. The working medium of the model is…

Quantum Physics · Physics 2009-11-13 Yair Rezek , Ronnie Kosloff

We consider a paradigmatic quantum harmonic Otto engine operating in finite time. We investigate its performance when shortcut-to-adiabaticity techniques are used to speed up its cycle. We compute efficiency and power by taking the…

Quantum Physics · Physics 2018-09-26 Obinna Abah , Eric Lutz

We study the unitary time evolution of a simple quantum Hamiltonian describing a heat engine coupled to two heat baths. The engine is modeled as a three-level system. Each heat bath consists of a single harmonic oscillator. The engine is…

Mathematical Physics · Physics 2013-06-27 Winny O'Kelly de Galway , Jan Naudts

A cyclically operating chemical engine is considered that converts chemical energy into mechanical work. The working fluid is a gas of finite-sized spherical particles interacting through elastic hard collisions. For a generic transport law…

We introduce quantum heat engines that perform quantum Otto cycle and the quantum Stirling cycle by using a coupled pair of harmonic oscillator as its working substance. In the quantum regime, different working medium is considered for the…

Quantum Physics · Physics 2021-08-25 Tanmoy Pandit , Pritam Chattopadhyay , Goutam Paul

This study presents a comparative analysis of three quantum thermal engines utilizing a two-qubit Heisenberg XXZ chain as the working substance. A novel generalized quantum Otto cycle (GQOC) is introduced, featuring two distinct coupling…

Quantum Physics · Physics 2025-03-28 Zorar Ahmadi , Bashir Mojaveri

Continuous particle exchange thermal machines require no time-dependent driving, can be realised in solid-state electronic devices, and miniaturised to nanometre scale. Quantum dots, providing a narrow energy filter and allowing to…

Mesoscale and Nanoscale Physics · Physics 2025-12-18 Eugenia Pyurbeeva , Ronnie Kosloff

In this paper we present a closed-form expression of the vibrational partition function for the one-dimensional q-deformed Morse potential energy model. Through this function the related thermodynamic functions are derived and studied in…

Quantum Physics · Physics 2018-02-06 Abdelmalek Boumali

We derive a bound on the efficiency of thermal engines that can be sharper than Carnot's limit. It is a function of statistical correlations between the engine internal state and Hamiltonian, can be saturated even in finite-time cycles, and…

Quantum Physics · Physics 2026-04-14 Anna Gabetti , Fabrizio Dolcini , Davide Girolami

Quantum cycles in established heat engines can be modeled with various quantum systems as working substances. For example, a heat engine can be modeled with an infinite potential well as the working substance to determine the efficiency and…

Quantum Physics · Physics 2021-04-15 Pritam Chattopadhyay , Ayan Mitra , Goutam Paul , Vasilios Zarikas

The design and implementation of quantum technologies necessitates the understanding of thermodynamic processes in the quantum domain. In stark contrast to macroscopic thermodynamics, at the quantum scale processes generically operate far…

Quantum Physics · Physics 2019-08-15 Cleverson Cherubim , Frederico Brito , Sebastian Deffner

We introduce machine learning models of quantum mechanical observables of atoms in molecules. Instant out-of-sample predictions for proton and carbon nuclear chemical shifts, atomic core level excitations, and forces on atoms reach…

Chemical Physics · Physics 2015-08-26 Matthias Rupp , Raghunathan Ramakrishnan , O. Anatole von Lilienfeld

Pistons are elementary components of a wide variety of thermal engines, allowing to convert input fuel into rotational motion. Here, we propose a single-piston engine where the rotational degree of freedom is effectively realized by the…

Quantum Physics · Physics 2018-06-01 Alexandre Roulet , Stefan Nimmrichter , Jacob M. Taylor
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