In quantum physics, a wave function (or wavefunction), represented by the Greek letter Ψ, is a mathematical description of the quantum state of an isolated quantum system. In the Copenhagen interpretation of quantum mechanics, the wave function is a complex-valued probability amplitude; the probabilities for the possible results of the measurements made on a measured system can be derived from the wave function.
The most common symbols for a wave function are the Greek letters ψ and Ψ (lower-case and capital psi, respectively).
The wave function is a function of the degrees of freedom corresponding to some maximal set of commuting observables. Once such a representation is chosen, the wave function can be derived from the quantum state.
For a given system, the choice of which commuting degrees of freedom to use is not unique, and correspondingly the domain of the wave function is also not unique. For instance, it may be taken to be a function of all the position coordinates of the particles over position space, or the momenta of all the particles over momentum space; the two are related by a Fourier transform. Some particles, like electrons and photons, have nonzero spin, and the wave function for such particles includes spin as an intrinsic, discrete degree of freedom; other discrete variables can also be included, such as isospin. When a system has internal degrees of freedom, the wave function at each point in the continuous degrees of freedom (e.g., a point in space) assigns a complex number for each possible value of the discrete degrees of freedom (e.g., z-component of spin) – these values are often displayed in a column matrix (e.g., a 2 × 1 column vector for a non-relativistic electron with spin ).
According to the superposition principle of quantum mechanics, wave functions can be added together and multiplied by complex numbers to form new wave functions and form a Hilbert space.
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Le cours comporte deux parties. Les bases de la thermodynamique des équilibres et de la cinétique des réactions sont introduites dans l'une d'elles. Les premières notions de chimie quantique sur les é
Repetition of the basic concepts of quantum mechanics and main numerical algorithms used for practical implementions. Basic principles of electronic structure methods:Hartree-Fock, many body perturbat
The course provides an introduction to the use of path integral methods in atomistic simulations.
The path integral formalism allows to introduce quantum mechanical effects on the equilibrium and (ap
The course provides an introduction to the use of path integral methods in atomistic simulations.
The path integral formalism allows to introduce quantum mechanical effects on the equilibrium and (ap
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