Search results

{{Electronic structure methods}} ...g. '''40''', 386 (1949)</ref> established a theory of molecular electronic structure which combines the strengths of the two rival theories which emerged soon a ...

{{Electronic structure methods}} ...nation which is based on [[Functional (mathematics)|functional]]s of the [[electronic density]]. It is most closely related to the [[Thomas–Fermi model]]. Orbita ...

...ly of methods known as '''energy decomposition analysis (EDA)'''. Most EDA methods decompose a total interaction energy that is computed via a ''supermolecula The major difference between SAPT and supermolecular EDA methods is that, as the name suggests, SAPT computes the interaction energy ''direc ...

...d are thus a useful field of inquiry. Different '''molecular fragmentation methods''' have been built to break apart molecules, some of which are listed below ...ion approach which provides a hierarchy of approximations to the molecular electronic energy. In this approach, large molecules are divided in a systematic way t ...

{{short description|Theoretical electronic band structure model in which the potential is periodic and weak}} {{Electronic structure methods}} ...

{{Electronic structure methods}} ...] and [[Linearized augmented-plane-wave method|linear augmented-plane-wave methods]], and allows for [[density functional theory]] calculations to be performe ...

{{Electronic structure methods}} ...a–Kohn–Rostoker (KKR) method''' is used to calculate the [[electronic band structure]] of periodic [[solid]]s. In the derivation of the method using [[multiple ...

{{Electronic structure methods}} ...]''' is an approximated semi-empirical approach for calculating the [[band structure]] (particularly [[Effective mass (solid-state physics)|effective mass]]) an ...

...h numerical accuracy on par with the best available all-electron reference methods while remaining scalable to system sizes up to several thousands of atoms. ...[[Path integral molecular dynamics|path integral]] [[molecular dynamics]] methods. ...

...techniques can reveal patterns in the underlying data undetected by other methods.<ref name=Coppi1989> ...number sources of data variation while reserving the word ''mode'' for the methods or models used to analyze the data.<ref name=Kroonenberg2008> ...

..., and Poschel in 1984.<ref>Golfand, J.J., N.L. Najmark and R. Poschel: The structure of S-rings over Z2m, preprint (1984).</ref> | journal = Electronic Journal of Combinatorics ...

...s called traditional, techniques for CSF construction. However traditional methods can offer other advantages<ref>{{Cite book|author1=A.D. McLean |author2=M. chapter=ALCHEMY II, A Research Tool for Molecular Electronic Structure and Interactions| ...

...y of an [[Ultrasonic testing|ultrasonic pulse]] passing through a concrete structure or natural rock formation. ...rete to be tested and measuring the time taken by pulse to get through the structure. Higher velocities indicate good quality and continuity of the material, wh ...

...Its modular development allows to create new interfaces and integrate new methods. Users’ new developments are encouraged and are in due course included into ...is done with a numerical approximation based on overlap of [[wavefunctions|electronic wavefunctions]] obtained in sequential time steps. A local diabatization me ...

Haug, H.; Koch, S. W. (2009). ''Quantum Theory of the Optical and Electronic Properties of Semiconductors'' (5th ed.). World Scientific. p. 216. {{ISBN| ...sum involves crystal-momenta <math>\hbar{\mathbf k}</math> of all relevant electronic states. In semiconductor optics, one typically excites transitions between ...

{{Short description|Method to determine the electronic structure of strongly correlated materials}} ...electrons, which is used in [[density functional theory]] and usual [[band structure]] calculations, breaks down. Dynamical mean-field theory, a non-perturbativ ...

...and output functions: The Boolean equations can be obtained by a two-level structure or random-logic by an interconnection of logic primitives. In either case, == Synthesis methods == ...

...)''' is a technique of solid state physics to investigate the [[electronic structure]] of metals. It uses [[positrons]] which are implanted into a sample and [[ ==Investigation of the electronic structure== ...

* Numerical Methods for [[Plasma (physics)|Plasma Physics]] * Formal Methods for [[Reliability engineering|Software Reliability]] ...

....104|bibcode=1965PhRvL..15..104S|issn=0031-9007}}</ref> Normally, the band structure at critical points (points of special interest) has to be measured within a === Effect of the electric field on the electronic structure === ...