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Interaction Energy
In physics, interaction energy is the contribution to the total energy that is caused by an interaction between the objects being considered. The interaction energy usually depends on the relative position of the objects. For example, Q_1 Q_2 / (4 \pi \varepsilon_0 \Delta r) is the electrostatic interaction energy between two objects with charges Q_1, Q_2. Interaction energy A straightforward approach for evaluating the interaction energy is to calculate the difference between the objects' combined energy and all of their isolated energies. In the case of two objects, ''A'' and ''B'', the interaction energy can be written as: Theoretical and Computational Chemistry, 1999, Ideas of Quantum Chemistry, 2007 and Quantum Magnetic Resonance Imaging Diagnostics of Human Brain Disorders, 2010 \Delta E_\text = E(A,B) - \left( E(A) + E(B) \right), where E(A) and E(B) are the energies of the isolated objects (monomers), and E(A,B) the energy of their interacting assembly (dimer). For larger ...
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Physics
Physics is the natural science that studies matter, its fundamental constituents, its motion and behavior through space and time, and the related entities of energy and force. "Physical science is that department of knowledge which relates to the order of nature, or, in other words, to the regular succession of events." Physics is one of the most fundamental scientific disciplines, with its main goal being to understand how the universe behaves. "Physics is one of the most fundamental of the sciences. Scientists of all disciplines use the ideas of physics, including chemists who study the structure of molecules, paleontologists who try to reconstruct how dinosaurs walked, and climatologists who study how human activities affect the atmosphere and oceans. Physics is also the foundation of all engineering and technology. No engineer could design a flat-screen TV, an interplanetary spacecraft, or even a better mousetrap without first understanding the basic laws of physic ...
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Energy
In physics, energy (from Ancient Greek: ἐνέργεια, ''enérgeia'', “activity”) is the quantitative property that is transferred to a body or to a physical system, recognizable in the performance of work and in the form of heat and light. Energy is a conserved quantity—the law of conservation of energy states that energy can be converted in form, but not created or destroyed. The unit of measurement for energy in the International System of Units (SI) is the joule (J). Common forms of energy include the kinetic energy of a moving object, the potential energy stored by an object (for instance due to its position in a field), the elastic energy stored in a solid object, chemical energy associated with chemical reactions, the radiant energy carried by electromagnetic radiation, and the internal energy contained within a thermodynamic system. All living organisms constantly take in and release energy. Due to mass–energy equivalence, any object th ...
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Fundamental Interaction
In physics, the fundamental interactions, also known as fundamental forces, are the interactions that do not appear to be reducible to more basic interactions. There are four fundamental interactions known to exist: the gravitational and electromagnetic interactions, which produce significant long-range forces whose effects can be seen directly in everyday life, and the strong and weak interactions, which produce forces at minuscule, subatomic distances and govern nuclear interactions. Some scientists hypothesize that a fifth force might exist, but these hypotheses remain speculative. Each of the known fundamental interactions can be described mathematically as a '' field''. The gravitational force is attributed to the curvature of spacetime, described by Einstein's general theory of relativity. The other three are discrete quantum fields, and their interactions are mediated by elementary particles described by the Standard Model of particle physics. Within the Standard Mode ...
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Electrostatics
Electrostatics is a branch of physics that studies electric charges at rest ( static electricity). Since classical times, it has been known that some materials, such as amber, attract lightweight particles after rubbing. The Greek word for amber, (), was thus the source of the word 'electricity'. Electrostatic phenomena arise from the forces that electric charges exert on each other. Such forces are described by Coulomb's law. Even though electrostatically induced forces seem to be rather weak, some electrostatic forces are relatively large. The force between an electron and a proton, which together make up a hydrogen atom, is about 36 orders of magnitude stronger than the gravitational force acting between them. There are many examples of electrostatic phenomena, from those as simple as the attraction of plastic wrap to one's hand after it is removed from a package, to the apparently spontaneous explosion of grain silos, the damage of electronic components during manufac ...
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Basis Set Superposition Error
In quantum chemistry, calculations using finite basis sets are susceptible to basis set superposition error (BSSE). As the atoms of interacting molecules (or of different parts of the same molecule - intramolecular BSSE) approach one another, their basis functions overlap. Each monomer "borrows" functions from other nearby components, effectively increasing its basis set and improving the calculation of derived properties such as energy. If the total energy is minimised as a function of the system geometry, the short-range energies from the mixed basis sets must be compared with the long-range energies from the unmixed sets, and this mismatch introduces an error. Other than using infinite basis sets, two methods exist to eliminate the BSSE. In the ''chemical Hamiltonian approach'' (CHA), basis set mixing is prevented ''a priori'', by replacing the conventional Hamiltonian with one in which all the projector-containing terms that would allow mixing have been removed. In the ''c ...
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Energy
In physics, energy (from Ancient Greek: ἐνέργεια, ''enérgeia'', “activity”) is the quantitative property that is transferred to a body or to a physical system, recognizable in the performance of work and in the form of heat and light. Energy is a conserved quantity—the law of conservation of energy states that energy can be converted in form, but not created or destroyed. The unit of measurement for energy in the International System of Units (SI) is the joule (J). Common forms of energy include the kinetic energy of a moving object, the potential energy stored by an object (for instance due to its position in a field), the elastic energy stored in a solid object, chemical energy associated with chemical reactions, the radiant energy carried by electromagnetic radiation, and the internal energy contained within a thermodynamic system. All living organisms constantly take in and release energy. Due to mass–energy equivalence, any object th ...
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Force
In physics, a force is an influence that can change the motion of an object. A force can cause an object with mass to change its velocity (e.g. moving from a state of rest), i.e., to accelerate. Force can also be described intuitively as a push or a pull. A force has both magnitude and direction, making it a vector quantity. It is measured in the SI unit of newton (N). Force is represented by the symbol (formerly ). The original form of Newton's second law states that the net force acting upon an object is equal to the rate at which its momentum changes with time. If the mass of the object is constant, this law implies that the acceleration of an object is directly proportional to the net force acting on the object, is in the direction of the net force, and is inversely proportional to the mass of the object. Concepts related to force include: thrust, which increases the velocity of an object; drag, which decreases the velocity of an object; and torque, which pro ...
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Interaction
Interaction is action that occurs between two or more objects, with broad use in philosophy and the sciences. It may refer to: Science * Interaction hypothesis, a theory of second language acquisition * Interaction (statistics) * Interactions of actors theory, created by cybernetician Gordon Pask * Fundamental interaction, in physics * Human–computer interaction * Social interaction between people Biology * Biological interaction * Cell–cell interaction * Drug interaction * Gene–environment interaction * Protein–protein interaction Chemistry * Aromatic interaction * Cation-pi interaction * Metallophilic interaction Arts and media * ''Interaction'' (album), 1963, by Art Farmer's Quartet * ACM ''Interactions'', a magazine published by the Association for Computing Machinery * "Interactions" (''The Spectacular Spider-Man''), an episode of the animated television series * 63rd World Science Fiction Convention, titled ''Interaction'' See also * * * Interact (disamb ...
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Ideal Solution
In chemistry, an ideal solution or ideal mixture is a solution that exhibits thermodynamic properties analogous to those of a mixture of ideal gases. The enthalpy of mixing is zero as is the volume change on mixing by definition; the closer to zero the enthalpy of mixing is, the more "ideal" the behavior of the solution becomes. The vapor pressures of the solvent and solute obey Raoult's law and Henry's law, respectively, and the activity coefficient (which measures deviation from ideality) is equal to one for each component. The concept of an ideal solution is fundamental to chemical thermodynamics and its applications, such as the explanation of colligative properties. Physical origin Ideality of solutions is analogous to ideality for gases, with the important difference that intermolecular interactions in liquids are strong and cannot simply be neglected as they can for ideal gases. Instead we assume that the mean strength of the interactions are the same between all t ...
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Perturbation Theory (quantum Mechanics)
In quantum mechanics, perturbation theory is a set of approximation schemes directly related to mathematical perturbation for describing a complicated quantum system in terms of a simpler one. The idea is to start with a simple system for which a mathematical solution is known, and add an additional "perturbing" Hamiltonian representing a weak disturbance to the system. If the disturbance is not too large, the various physical quantities associated with the perturbed system (e.g. its energy levels and eigenstates) can be expressed as "corrections" to those of the simple system. These corrections, being small compared to the size of the quantities themselves, can be calculated using approximate methods such as asymptotic series. The complicated system can therefore be studied based on knowledge of the simpler one. In effect, it is describing a complicated unsolved system using a simple, solvable system. Approximate Hamiltonians Perturbation theory is an important tool f ...
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Potential
Potential generally refers to a currently unrealized ability. The term is used in a wide variety of fields, from physics to the social sciences to indicate things that are in a state where they are able to change in ways ranging from the simple release of energy by objects to the realization of abilities in people. The philosopher Aristotle incorporated this concept into his theory of potentiality and actuality, a pair of closely connected principles which he used to analyze motion, causality, ethics, and physiology in his ''Physics'', ''Metaphysics'', ''Nicomachean Ethics'', and '' De Anima'', which is about the human psyche. That which is potential can theoretically be made actual by taking the right action; for example, a boulder on the edge of a cliff has potential to fall that could be actualized by pushing it over the edge. Several languages have a potential mood, a grammatical construction that indicates that something is potential. These include Finnish, Japanese, and S ...
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Statistical Mechanics
In physics, statistical mechanics is a mathematical framework that applies statistical methods and probability theory to large assemblies of microscopic entities. It does not assume or postulate any natural laws, but explains the macroscopic behavior of nature from the behavior of such ensembles. Statistical mechanics arose out of the development of classical thermodynamics, a field for which it was successful in explaining macroscopic physical properties—such as temperature, pressure, and heat capacity—in terms of microscopic parameters that fluctuate about average values and are characterized by probability distributions. This established the fields of statistical thermodynamics and statistical physics. The founding of the field of statistical mechanics is generally credited to three physicists: * Ludwig Boltzmann, who developed the fundamental interpretation of entropy in terms of a collection of microstates *James Clerk Maxwell, who developed models of probability di ...
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