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src
electronsystems
helium
heliumhartree.h
Go to the documentation of this file.
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#ifndef HELIUMHARTREE_H
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#define HELIUMHARTREE_H
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#include <
electronsystems/electronsystem.h
>
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#include <armadillo>
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using namespace
arma;
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class
Helium
:
public
ElectronSystem
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{
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public
:
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Helium
();
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rowvec
alpha
;
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// Constants to be precalculated
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const
double
powPi5over2 = pow(M_PI, 5./2.);
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double
banana()
const
;
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void
setBanana(
double
banana);
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virtual
double
kineticIntegral(
int
p,
int
q);
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virtual
double
nuclearAttractionIntegral(
int
p,
int
q);
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// ElectronSystem interface
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public
:
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virtual
double
uncoupledIntegral(
int
p,
int
q);
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virtual
double
coupledIntegral(
int
p,
int
r,
int
q,
int
s);
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virtual
double
overlapIntegral(
int
p,
int
q);
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virtual
double
additionalEnergyTerms();
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virtual
uint nBasisFunctions();
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virtual
uint nParticles();
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};
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inline
uint
Helium::nParticles
() {
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return
2;
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}
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#endif // HELIUMHARTREE_H
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