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Path-integral Mayer-sampling calculations of the quantum Boltzmann contribution to virial coefficients of helium-4
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10.1063/1.4764857
/content/aip/journal/jcp/137/18/10.1063/1.4764857
http://aip.metastore.ingenta.com/content/aip/journal/jcp/137/18/10.1063/1.4764857

Figures

Image of FIG. 1.
FIG. 1.

Difference in B 3[a]9 relative to .

Image of FIG. 2.
FIG. 2.

CPU times for components of Γ = at 10 K and below, corresponding to values of presented in Table III.

Image of FIG. 3.
FIG. 3.

CPU times for components of Γ = at 20 K and above, corresponding to values of presented in Table III.

Image of FIG. 4.
FIG. 4.

CPU times for components of Γ = at 10 K and below, corresponding to values of presented in Table III.

Image of FIG. 5.
FIG. 5.

CPU times for components of Γ = at 20 K and above, corresponding to values of presented in Table III.

Tables

Generic image for table
Table I.

The 4He second virial coefficient B 2 and approximations in units of (cm3/mol). Values in parentheses are standard uncertainties (68%) on the rightmost digit(s).

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Table II.

The 4He third virial coefficient B 3 and approximations in units of (cm6/mol2). Values in parentheses are standard uncertainties on the rightmost digit(s). For B 3,9 these include propagated uncertainties in the potentials.

Generic image for table
Table III.

Approximations to the 4He fourth virial coefficient B 4 in units of (cm9/mol3). Values in parentheses are standard uncertainties on the rightmost digit(s). For , these include propagated uncertainties in the nonadditive potential.

Generic image for table
Table IV.

VEOS estimates of the critical point employing state-of-the-art potentials, compared to the true critical point of helium-4. Values in parentheses are standard uncertainties on the rightmost digit(s).

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/content/aip/journal/jcp/137/18/10.1063/1.4764857
2012-11-08
2014-04-25
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Path-integral Mayer-sampling calculations of the quantum Boltzmann contribution to virial coefficients of helium-4
http://aip.metastore.ingenta.com/content/aip/journal/jcp/137/18/10.1063/1.4764857
10.1063/1.4764857
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