Unrestricted Hartree–Fock: Difference between revisions

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The '''Born–von Karman boundary condition''' are [[periodic boundary conditions]] which impose the restriction that a [[wave function]] must be [[periodic function|periodic]] on a certain [[Bravais lattice]]. (Named after [[Max Born]] and [[Theodore Von Karman]]). This condition is often applied in [[solid state physics]] to model an ideal [[crystal]].
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The condition can be stated as
 
: <math> \psi(\bold{r}+N_i \bold{a}_i)=\psi(\bold{r}), \, </math>
 
where ''i'' runs over the [[dimension]]s of the Bravais lattice, the '''a'''<sub>''i''</sub> are the primitive vectors of the lattice, and the ''N<sub>i</sub>'' are any integers (assuming the lattice is infinite). This definition can be used to show that
 
: <math> \psi(\bold{r}+\bold{T})=\psi(\bold{r}) </math>
 
for any lattice translation vector '''T''' such that:
 
: <math> \bold{T} = \sum_i N_i \bold{a}_i. </math>
 
Note, however, the Born–von Karman boundary conditions are useful when ''N<sub>i</sub>'' are large (infinite).  
 
The Born–von Karman boundary condition is important in solid state physics for analyzing many features of crystals, such as [[diffraction]] and the [[Electronic band structure|band gap]]. Modeling the [[potential]] of a crystal as a periodic function with the Born–von Karman boundary condition and plugging in [[Schrödinger equation|Schrödinger's equation]] results in a proof of [[Bloch wave|Bloch's theorem]], which is particularly important in understanding the band structure of crystals.
 
==References==
{{reflist}}
*{{Cite book  | last1 = Ashcroft | first1 = Neil W. | last2 = Mermin | first2 = N. David | title = Solid state phys | year = 1976 | publisher = New York, Holt, Rinehart and Winston | isbn = 978-0-03-083993-1 | pages = 135 }}
*{{cite journal|last = Leighton|first = Robert B.|title = The Vibrational Spectrum and Specific Heat of a Face-Centered Cubic Crystal | year = 1948|journal = [[Reviews of Modern Physics]]|volume = 20|issue = 1|pages = 165–174|doi = 10.1103/RevModPhys.20.165|bibcode=1948RvMP...20..165L}}
 
==External links==
 
{{DEFAULTSORT:Born-von Karman boundary condition}}
[[Category:Condensed matter physics]]
[[Category:Boundary conditions]]
 
 
{{physics-stub}}

Latest revision as of 04:38, 9 January 2015

Hi there. Allow me begin by introducing the writer, her title is Sophia. The preferred pastime for him and his children is to perform lacross and he would never give it up. I am currently a travel agent. For a whilst I've been in Alaska but I will have to move in a yr or two.

My blog - free psychic readings, http://www.publicpledge.com/blogs/post/7034,