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Computational electromagnetics (CEM), computational electrodynamics or electromagnetic modeling is the process of modeling the interaction of electromagnetic fields with physical objects and the environment using computers. It typically involves using computer programs to compute approximate solutions to Maxwell's equations to calculate antenna ...
e. In 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 ...
A method that avoids making the variational overestimation of HF in the first place is Quantum Monte Carlo (QMC), in its variational, diffusion, and Green's function forms. These methods work with an explicitly correlated wave function and evaluate integrals numerically using a Monte Carlo integration. Such calculations can be very time-consuming.
Finite-difference time-domain (FDTD) or Yee's method (named after the Chinese American applied mathematician Kane S. Yee, born 1934) is a numerical analysis technique used for modeling computational electrodynamics (finding approximate solutions to the associated system of differential equations). Since it is a time-domain method, FDTD ...
Linearity. [edit] The Schrödinger equation is a linear differential equation, meaning that if two state vectors and are solutions, then so is any linear combination of the two state vectors where a and b are any complex numbers. [ 13 ]: 25 Moreover, the sum can be extended for any number of state vectors.
The Vienna Ab initio Simulation Package, better known as VASP, is a package written primarily in Fortran for performing ab initio quantum mechanical calculations using either Vanderbilt pseudopotentials, or the projector augmented wave method, and a plane wave basis set. [2] The basic methodology is density functional theory (DFT), but the code ...
Computational chemistry. A dichromium metal complex with electrostatic field surrounding it. Modelled using WebMO. [1] Computational chemistry is a branch of chemistry that uses computer simulations to assist in solving chemical problems. [2] It uses methods of theoretical chemistry incorporated into computer programs to calculate the ...
PhET Interactive Simulations is part of the University of Colorado Boulder which is a member of the Association of American Universities. [10] The team changes over time and has about 16 members consisting of professors, post-doctoral students, researchers, education specialists, software engineers (sometimes contractors), educators, and administrative assistants. [11]