Package etomica.virial

Class BnPY_1QC_Helium

java.lang.Object

etomica.virial.BnPY_1QC_Helium

public class BnPY_1QC_Helium
extends java.lang.Object

Computes the Percus-Yevick compressibility-route approximation for to the first quantum correction of Bn, where the first quantum correction is as defined Kim and Henderson (1968,1966). The gradient of u is equal to d2u/dr2 + 2/r*(du/dr). Considers the same potential as Kim and Henderson: Lennard-Jones parameterized for helium by Haberlandt. Percus-Yevick approximation is fully accurate at second and third order, and values match those of Kim and Henderson to three or four sig figs at second and third orders. Applicable only for spherically symmetric pair potentials.

Constructor Summary

Constructors

Constructor	Description
BnPY_1QC_Helium()

Method Summary

Modifier and Type	Method	Description
static double[]	computeB(int m, int N, double del_r, double kT, Potential2SoftSpherical p2)
static double[][]	getConvergence(Potential2SoftSpherical p2, int power, int m, double r_max, double kT, boolean printapalooza)
static double[]	getfr(int N, double del_r, double kT, Potential2SoftSpherical p2)
static double[]	getr2d2udr2(int N, double del_r, Potential2SoftSpherical p2)
static double[]	getrdudr(int N, double del_r, Potential2SoftSpherical p2)
static void	main(java.lang.String[] args)

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

BnPY_1QC_Helium

public BnPY_1QC_Helium()

Method Detail

main

public static void main(java.lang.String[] args)

getConvergence

public static double[][] getConvergence(Potential2SoftSpherical p2,
                                        int power,
                                        int m,
                                        double r_max,
                                        double kT,
                                        boolean printapalooza)

computeB

public static double[] computeB(int m,
                                int N,
                                double del_r,
                                double kT,
                                Potential2SoftSpherical p2)

getfr

public static double[] getfr(int N,
                             double del_r,
                             double kT,
                             Potential2SoftSpherical p2)

getrdudr

public static double[] getrdudr(int N,
                                double del_r,
                                Potential2SoftSpherical p2)

getr2d2udr2

public static double[] getr2d2udr2(int N,
                                   double del_r,
                                   Potential2SoftSpherical p2)