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A new approach to chemical bonding is introduced in order to provide an improved understanding of the connection between basic quantum mechanics and the covalent pair bond. It's focus is on the fact that the energy of the bond is largely…

Chemical Physics · Physics 2008-02-03 Holger F. Hofmann

We calculate the energy of a homogeneous one component plasma and find that the energy is lower for correlated motions of the particles as compared to uncorrelated motion. Our starting point is the conserved approximately relativistic…

Plasma Physics · Physics 2009-11-13 Hanno Essen

The quest for precision in parameter estimation is a fundamental task in different scientific areas. The relevance of this problem thus provided the motivation to develop methods for the application of quantum resources to estimation…

Quantum Physics · Physics 2024-06-18 Valeria Cimini , Emanuele Polino , Mauro Valeri , Nicolò Spagnolo , Fabio Sciarrino

A quantum microcanonical postulate is proposed as a basis for the equilibrium properties of small quantum systems. Expressions for the corresponding density of states are derived, and are used to establish the existence of phase transitions…

Quantum Physics · Physics 2007-06-13 Dorje C. Brody , Daniel W. Hook , Lane P. Hughston

It is widely recognized that the existing parameter estimators and adaptive controllers for robot manipulators are extremely complicated to be of practical use. This is mainly due to the fact that the existing parameterization includes the…

Dynamical Systems · Mathematics 2021-06-16 Jose Guadalupe Romero , Romeo Ortega , Alexey Bobtsov

An equilibrium theory of classical fluids based on the space distribution among the particles is derived in the framework of the energy minimization method. This study is motivated by current difficulties of evaluation of optical properties…

Statistical Mechanics · Physics 2009-11-10 R. D. Rohrmann

It is considered that the effective interaction between any two quarks in a baryon can be approximately described by a simple harmonic potential. Also, it is made use of the nonrelativistic approximation. The problem is firstly solved in…

High Energy Physics - Phenomenology · Physics 2007-05-23 Mario Everaldo de Souza

In the present work the conditions appearing in the WKB approximation formalism of quantum mechanics are analyzed. It is shown that, in general, a careful definition of an approximation method requires the introduction of two length…

Quantum Physics · Physics 2009-11-13 Luis F. Barragan-Gil , Abel Camacho

We address the question of how a quantum computer can be used to simulate experiments on quantum systems in thermal equilibrium. We present two approaches for the preparation of the equilibrium state on a quantum computer. For both…

Quantum Physics · Physics 2009-10-31 Barbara M. Terhal , David P. DiVincenzo

A quantum trajectory describes the evolution of a quantum system undergoing indirect measurement. In the discrete-time setting, the state of the system is updated by applying Kraus operators according to the measurement results. From an…

Quantum Physics · Physics 2022-04-04 Maël Bompais , Nina H. Amini , Clément Pellegrini

Measurement incompatibility is a cornerstone of quantum mechanics. In the context of estimating multiple parameters of a quantum system, this manifests as a fundamental trade-off between the precisions with which different parameters can be…

Quantum Physics · Physics 2025-11-11 Simon K. Yung , Aritra Das , Jun Suzuki , Ping Koy Lam , Jie Zhao , Lorcán O. Conlon , Syed M. Assad

A procedure to solve few-body problems is developed which is based on an expansion over a small parameter. The parameter is the ratio of potential energy to kinetic energy for states having not small hyperspherical quantum numbers, K>K_0.…

Nuclear Theory · Physics 2010-11-11 V. D. Efros

We introduce a class of interatomic potential models that can be automatically generated from data consisting of the energies and forces experienced by atoms, derived from quantum mechanical calculations. The resulting model does not have a…

Computational Physics · Physics 2015-05-14 Albert P. Bartók , Mike C. Payne , Risi Kondor , Gábor Csányi

Modeling biological processes is a highly demanding task because not all processes are fully understood. Mathematical models allow us to test hypotheses about possible mechanisms of biological processes. The mathematical mechanisms…

Numerical Analysis · Mathematics 2023-12-11 Cordula Reisch , Hannah Burmester

We will prove the equivalence of three methods, the so called energy methods, for establishing the stability of an equilibrium point for a dynamical system. We will illustrate by examples that this result simplifies enormously the amount of…

Dynamical Systems · Mathematics 2009-11-11 Petre Birtea , Mircea Puta

We present a method to estimate the probabilities of outcomes of a quantum observable, its mean value, and higher moments by measuring any other observable. This method is general and can be applied to any quantum system. In the case of…

Quantum Physics · Physics 2023-08-16 Dominik Šafránek , Dario Rosa

In the preceding paper, the structure and thermodynamics of a given quantum system was represented by a corresponding classical system having an effective temperature, local chemical potential, and pair potential. Here, that formal…

Statistical Mechanics · Physics 2013-03-14 Sandipan Dutta , James Dufty

The goal of this paper is to demonstrate the general modeling and practical simulation of random equations with mixture model parameter random variables. Random equations, understood as stationary (non-dynamical) equations with parameters…

Computation · Statistics 2025-07-31 Wolfgang Hoegele

An expression is derived for the classical free energy difference between two configurations of a system, in terms of an ensemble of finite-time measurements of the work performed in parametrically switching from one configuration to the…

Statistical Mechanics · Physics 2009-10-28 C. Jarzynski

equilibrium-c (eqc) is a program for computing the composition of gas mixtures in chemical equilibrium. In typical usage, the program is given a known thermodynamic state, such as fixed temperature and pressure, as well as an initial…

Computational Engineering, Finance, and Science · Computer Science 2024-12-11 Nicholas N. Gibbons