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Variational method (quantum mechanics) In quantum mechanics, the variational method is one way of finding approximations to the lowest energy eigenstate or ground state, and some excited states. This allows calculating approximate wavefunctions such as molecular orbitals. [1] The basis for this method is the variational principle. [2][3]
Quantum mechanics is a fundamental theory that describes the behavior of nature at and below the scale of atoms. [2]: 1.1 It is the foundation of all quantum physics, which includes quantum chemistry, quantum field theory, quantum technology, and quantum information science. Quantum mechanics can describe many systems that classical physics cannot.
Radioactive decay is the process of emission of particles and energy from the unstable nucleus of an atom to form a stable product. This is done via the tunnelling of a particle out of the nucleus (an electron tunneling into the nucleus is electron capture). This was the first application of quantum tunnelling.
Density functional theory (DFT) is a computational quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (or nuclear structure) (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases. Using this theory, the properties of ...
General. Energy is a scalar quantity and the mechanical energy of a system is the sum of the potential energy (which is measured by the position of the parts of the system) and the kinetic energy (which is also called the energy of motion): [1][2] The potential energy, U, depends on the position of an object subjected to gravity or some other ...
Quantum ESPRESSO. Quantum ESPRESSO is a suite for first-principles electronic-structure calculations and materials modeling, distributed for free and as free software under the GNU General Public License. It is based on density-functional theory, plane wave basis sets, and pseudopotentials (both norm-conserving and ultrasoft).
Quantum mechanics. In quantum field theory, the Casimir effect (or Casimir force) [1] is a physical force acting on the macroscopic boundaries of a confined space which arises from the quantum fluctuations of a field. It is named after the Dutch physicist Hendrik Casimir, who predicted the effect for electromagnetic systems in 1948.
t. e. Physical chemistry is the study of macroscopic and microscopic phenomena in chemical systems in terms of the principles, practices, and concepts of physics such as motion, energy, force, time, thermodynamics, quantum chemistry, statistical mechanics, analytical dynamics and chemical equilibria. Physical chemistry, in contrast to chemical ...