Global Information Lookup Global Information

Gaussian orbital information


In computational chemistry and molecular physics, Gaussian orbitals (also known as Gaussian type orbitals, GTOs or Gaussians) are functions used as atomic orbitals in the LCAO method for the representation of electron orbitals in molecules and numerous properties that depend on these.[1]

  1. ^ Gill, Peter M.W. (1994). "Molecular integrals Over Gaussian Basis Functions" (PDF). Advances in Quantum Chemistry. 25: 141–205. Bibcode:1994AdQC...25..141G. doi:10.1016/S0065-3276(08)60019-2. ISBN 9780120348251. Retrieved 17 June 2011.

and 25 Related for: Gaussian orbital information

Request time (Page generated in 0.7868 seconds.)

Gaussian orbital

Last Update:

molecular physics, Gaussian orbitals (also known as Gaussian type orbitals, GTOs or Gaussians) are functions used as atomic orbitals in the LCAO method...

Word Count : 1614

Gaussian beam

Last Update:

optics, a Gaussian beam is an idealized beam of electromagnetic radiation whose amplitude envelope in the transverse plane is given by a Gaussian function;...

Word Count : 6838

Gaussian function

Last Update:

In mathematics, a Gaussian function, often simply referred to as a Gaussian, is a function of the base form f ( x ) = exp ⁡ ( − x 2 ) {\displaystyle f(x)=\exp(-x^{2})}...

Word Count : 4945

List of things named after Carl Friedrich Gauss

Last Update:

coordinate system Gaussian grid Gauss lens Double-Gauss lens Gaussian optics Gauss's principle of least constraint For orbit determination in orbital mechanics:...

Word Count : 1158

Atomic orbital

Last Update:

In quantum mechanics, an atomic orbital (/ˈɔːrbɪtəl/) is a function describing the location and wave-like behavior of an electron in an atom. This function...

Word Count : 10720

Gaussian gravitational constant

Last Update:

The Gaussian gravitational constant (symbol k) is a parameter used in the orbital mechanics of the Solar System. It relates the orbital period to the...

Word Count : 3708

Orbital angular momentum of light

Last Update:

Laguerre-Gaussian mode with rotational mode number l ≠ 0 {\displaystyle l\neq 0} has such a helical wavefront. The classical expression of the orbital angular...

Word Count : 3818

Azimuthal quantum number

Last Update:

number for an atomic orbital that determines its orbital angular momentum and describes aspects of the angular shape of the orbital. The azimuthal quantum...

Word Count : 2121

Gaussian algorithm

Last Update:

preliminary orbit determination Gauss's Easter algorithm Gauss separation algorithm This disambiguation page lists articles associated with the title Gaussian algorithm...

Word Count : 67

Intermolecular force

Last Update:

of Arts and Sciences. 18: 636–646. Blustin PH (1978). "A Floating Gaussian Orbital calculation on argon hydrochloride (Ar·HCl)". Theoretica Chimica Acta...

Word Count : 3384

John Pople

Last Update:

quantum chemistry community. The Gaussian molecular orbital methods were described in the 1986 book Ab initio molecular orbital theory by Warren Hehre, Leo...

Word Count : 1184

Quantum computational chemistry

Last Update:

applications, including factoring and solving linear systems of equations. In Gaussian orbital basis sets, phase estimation algorithms have been optimized empirically...

Word Count : 3340

Molecular orbital

Last Update:

region. The terms atomic orbital and molecular orbital were introduced by Robert S. Mulliken in 1932 to mean one-electron orbital wave functions. At an elementary...

Word Count : 4340

Gaussian year

Last Update:

A Gaussian year is defined as 365.2568983 days. It was adopted by Carl Friedrich Gauss as the length of the sidereal year in his studies of the dynamics...

Word Count : 230

Linear combination of atomic orbitals

Last Update:

molecular orbitals, which can be numbered i = 1 to n and which may not all be the same. The expression (linear expansion) for the i th molecular orbital would...

Word Count : 781

Mean motion

Last Update:

the orbital period, as above. Astronomy portal Gaussian gravitational constant Kepler orbit Mean anomaly Mean longitude Mean motion resonance Orbital elements...

Word Count : 1900

Random matrix

Last Update:

components per matrix element. The Gaussian unitary ensemble GUE ( n ) {\displaystyle {\text{GUE}}(n)} is described by the Gaussian measure with density 1 Z GUE...

Word Count : 6119

Bohr magneton

Last Update:

{\displaystyle \mu _{\mathrm {B} }={\frac {e\hbar }{2m_{\mathrm {e} }}}} and in the Gaussian CGS units as μ B = e ℏ 2 m e c , {\displaystyle \mu _{\mathrm {B} }={\frac...

Word Count : 891

Angular momentum of light

Last Update:

Spreeuw, R.; Woerdman, J. (1992). "Orbital angular momentum of light and the transformation of Laguerre-Gaussian laser modes". Phys. Rev. A. 45 (11):...

Word Count : 2705

Sidereal year

Last Update:

sidus 'asterism, star'), also called a sidereal orbital period, is the time that Earth or another planetary body takes to orbit the Sun once with respect to the fixed...

Word Count : 462

Computational chemistry

Last Update:

ATMOL, Gaussian, IBMOL, and POLYAYTOM, began to be used to speed ab initio calculations of molecular orbitals. Of these four programs, only Gaussian, now...

Word Count : 8359

Optical vortex

Last Update:

axis. This spinning carries orbital angular momentum with the wave train, and will induce torque on an electric dipole. Orbital angular momentum is distinct...

Word Count : 2791

Gravitational constant

Last Update:

years. Physics portal Gravity of Earth Standard gravity Gaussian gravitational constant Orbital mechanics Escape velocity Gravitational potential Gravitational...

Word Count : 5186

Amsterdam Density Functional

Last Update:

listing. Slater-type orbitals (STOs) as basis functions for both molecular and periodic calculations, in contrast to Gaussian orbitals (GTOs) and plane waves...

Word Count : 452

Year

Last Update:

calendar year is an approximation of the number of days of the Earth's orbital period, as counted in a given calendar. The Gregorian calendar, or modern...

Word Count : 5661

PDF Search Engine © AllGlobal.net