Hartree–Fock methodIn computational physics and chemistry, the Hartree–Fock (HF) method is a method of approximation for the determination of the wave function and the energy of a quantum many-body system in a stationary state. The Hartree–Fock method often assumes that the exact N-body wave function of the system can be approximated by a single Slater determinant (in the case where the particles are fermions) or by a single permanent (in the case of bosons) of N spin-orbitals.
Basis set (chemistry)In theoretical and computational chemistry, a basis set is a set of functions (called basis functions) that is used to represent the electronic wave function in the Hartree–Fock method or density-functional theory in order to turn the partial differential equations of the model into algebraic equations suitable for efficient implementation on a computer. The use of basis sets is equivalent to the use of an approximate resolution of the identity: the orbitals are expanded within the basis set as a linear combination of the basis functions , where the expansion coefficients are given by .
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.
WKB approximationIn mathematical physics, the WKB approximation or WKB method is a method for finding approximate solutions to linear differential equations with spatially varying coefficients. It is typically used for a semiclassical calculation in quantum mechanics in which the wavefunction is recast as an exponential function, semiclassically expanded, and then either the amplitude or the phase is taken to be changing slowly. The name is an initialism for Wentzel–Kramers–Brillouin. It is also known as the LG or Liouville–Green method.
Wave function collapseIn quantum mechanics, wave function collapse occurs when a wave function—initially in a superposition of several eigenstates—reduces to a single eigenstate due to interaction with the external world. This interaction is called an observation, and is the essence of a measurement in quantum mechanics, which connects the wave function with classical observables such as position and momentum. Collapse is one of the two processes by which quantum systems evolve in time; the other is the continuous evolution governed by the Schrödinger equation.
Configuration interactionConfiguration interaction (CI) is a post-Hartree–Fock linear variational method for solving the nonrelativistic Schrödinger equation within the Born–Oppenheimer approximation for a quantum chemical multi-electron system. Mathematically, configuration simply describes the linear combination of Slater determinants used for the wave function. In terms of a specification of orbital occupation (for instance, (1s)2(2s)2(2p)1...), interaction means the mixing (interaction) of different electronic configurations (states).
Particle in a boxIn quantum mechanics, the particle in a box model (also known as the infinite potential well or the infinite square well) describes a particle free to move in a small space surrounded by impenetrable barriers. The model is mainly used as a hypothetical example to illustrate the differences between classical and quantum systems. In classical systems, for example, a particle trapped inside a large box can move at any speed within the box and it is no more likely to be found at one position than another.
San Andreas (film)San Andreas is a 2015 American disaster film directed by Brad Peyton and written by Carlton Cuse, with Andre Fabrizio and Jeremy Passmore receiving story credit. The film stars Dwayne Johnson, in the lead role, Carla Gugino, Alexandra Daddario, Ioan Gruffudd, Archie Panjabi and Paul Giamatti. Its plot centers on a massive earthquake caused by the San Andreas Fault, devastating the West Coast of the United States. Principal photography of the film started on April 22, 2014, in Queensland, Australia, and wrapped up on July 28 in San Francisco.
St Andrew's Church, Andreas, Isle of ManSt Andrew's Church, Andreas, is a Church of England parish church in Andreas, Isle of Man. The church is administered by the Diocese of Sodor and Man. It is generally supposed that Christianity was introduced to the Isle of Man by St Patrick about the middle part of the 5th Century and that St German was appointed as the first Bishop of Man. Under the influence of St Patrick and what is referred to as his "Romish missionaries," the Isle of Man saw the erection of a series of small chapels throughout the Island.
EdoEdo (), also romanized as Jedo, Yedo or Yeddo, is the former name of Tokyo. Edo, formerly a jōkamachi (castle town) centered on Edo Castle located in Musashi Province, became the de facto capital of Japan from 1603 as the seat of the Tokugawa shogunate. Edo grew to become one of the largest cities in the world under the Tokugawa. After the Meiji Restoration in 1868 the Meiji government renamed Edo as Tokyo (, "Eastern Capital") and relocated the Emperor from the historic capital of Kyoto to the city.
Derived categoryIn mathematics, the derived category D(A) of an A is a construction of homological algebra introduced to refine and in a certain sense to simplify the theory of derived functors defined on A. The construction proceeds on the basis that the of D(A) should be chain complexes in A, with two such chain complexes considered isomorphic when there is a chain map that induces an isomorphism on the level of homology of the chain complexes. Derived functors can then be defined for chain complexes, refining the concept of hypercohomology.
La prepago– La prepago is a Colombian telenovela produced by Sony Pictures Television for RCN Televisión, based on the popular book written by Carlos Duplat, Las memorias de Andrea. Lilo de la Vega and Andrés Sandoval stars as the protagonists, while Julián Román, Alejandro Aguilar and Luis Eduardo Arango star as the antagonists. Lilo de la Vega - Ana Lucia Barrera / Andrea Andrés Sandoval - David Julián Román - Wilson Natalia Durán - Carolina Juliana Robledo - Paola Cabal Luis Eduardo Arango - Reinaldo “Don Rey” Kat
