scholarly journals AB Initio Calculations for Helium-4 of Thermodynamic and Transport Properties of the Gas and the Ground State Energy of the Liquid

1972 ◽  
Vol 25 (6) ◽  
pp. 735 ◽  
Author(s):  
IK Snook ◽  
RO Watts

A potential energy curve for the 4He diatom obtained from a perturbation theory solution of the Schr�dinger equation is used to calculate the viscosity, thermal conductivity, self-diffusion coefficient, and second virial coefficient of gaseous 4He. In addition, the ground state energy of the zero-temperature liquid is obtained by a variation procedure using a trial wavefunction in conjunction with the Monte Carlo method. The results are in good agreement with experiment.

Open Physics ◽  
2005 ◽  
Vol 3 (1) ◽  
pp. 1-7
Author(s):  
B. Reed

AbstractThe ground-state energy of neutral helium is estimated variationally with a trial wavefunction of the form ϕ≈e −γ(rA/a o)ne−γ(rB/a o)n. This model represents a modification of traditional textbook examinations of this problem via inclusion of the power “n” as a second nonlinear variational parameter in addition to the usual effective nuclear charge γ and leads to an upper-limit on the ground state energy of −2.86107 Eh (Eh=1 hartree) in comparison with the traditional (n=1) result of −2.84766 Eh. This result represents a reduction of the percentage overestimate from the true ground-state energy (−2.90373 Eh) of from 1.93 to 1.47. In comparison with the maximum accuracy obtainable from an uncorrelated trial wavefunction, −2.86168 Eh, the present trial wavefunction reduces the percentage overestimate from 0.49 (n=1) to 0.021. The optimum values of (n, γ) are determined to be ≈(0.897, 1.825).


1994 ◽  
Vol 4 (9) ◽  
pp. 1281-1285 ◽  
Author(s):  
P. Sutton ◽  
D. L. Hunter ◽  
N. Jan

2007 ◽  
Vol 21 (24) ◽  
pp. 1635-1642
Author(s):  
MIAN LIU ◽  
WENDONG MA ◽  
ZIJUN LI

We conducted a theoretical study on the properties of a polaron with electron-LO phonon strong-coupling in a cylindrical quantum dot under an electric field using linear combination operator and unitary transformation methods. The changing relations between the ground state energy of the polaron in the quantum dot and the electric field intensity, restricted intensity, and cylindrical height were derived. The numerical results show that the polar of the quantum dot is enlarged with increasing restricted intensity and decreasing cylindrical height, and with cylindrical height at 0 ~ 5 nm , the polar of the quantum dot is strongest. The ground state energy decreases with increasing electric field intensity, and at the moment of just adding electric field, quantum polarization is strongest.


2017 ◽  
Vol 31 (07) ◽  
pp. 1750071
Author(s):  
Z. D. Vatansever ◽  
S. Sakiroglu ◽  
I. Sokmen

In this paper, the effects of a repulsive scattering center on the ground-state energy and spin properties of a three-electron parabolic quantum dot are investigated theoretically by means of configuration interaction method. Phase transition from a weakly correlated regime to a strongly correlated regime is examined from several strengths and positions of Gaussian impurity. Numerical results reveal that the transition from spin-1/2 to spin-3/2 state depends strongly on the location of the impurity which accordingly states the controllability of the spin polarization. Moreover, broken circular symmetry results in more pronounced electronic charge localization.


2021 ◽  
Vol 2021 (8) ◽  
Author(s):  
Simeon Hellerman ◽  
Nozomu Kobayashi ◽  
Shunsuke Maeda ◽  
Masataka Watanabe

Abstract As a sequel to previous work, we extend the study of the ground state configuration of the D = 3, Wilson-Fisher conformal O(4) model. In this work, we prove that for generic ratios of two charge densities, ρ1/ρ2, the ground-state configuration is inhomogeneous and that the inhomogeneity expresses itself towards longer spatial periods. This is the direct extension of the similar statements we previously made for ρ1/ρ2 ≪ 1. We also compute, at fixed set of charges, ρ1, ρ2, the ground state energy and the two-point function(s) associated with this inhomogeneous configuration on the torus. The ground state energy was found to scale (ρ1 + ρ2)3/2, as dictated by dimensional analysis and similarly to the case of the O(2) model. Unlike the case of the O(2) model, the ground also strongly violates cluster decomposition in the large-volume, fixed-density limit, with a two-point function that is negative definite at antipodal points of the torus at leading order at large charge.


2005 ◽  
Vol 19 (30) ◽  
pp. 1793-1802 ◽  
Author(s):  
M. MODARRES

We investigate the possible angular momentum, l, dependence of the ground state energy of normal liquid 3 He . The method of lowest order constrained variational (LOCV) which includes the three-body cluster energy and normalization constraint (LOCVE) is used with angular momentum dependent two-body correlation functions. A functional minimization is performed with respect to each l-channel correlation function. It is shown that this dependence increases the binding energy of liquid 3 He by 8% with respect to calculations without angular momentum dependent correlation functions. The l=0 state has completely different behavior with respect to other l-channels. It is also found that the main contribution from potential energy comes from the l=1 state (p-waves) and the effect of l≥11 is less than about 0.1%. The effective interactions and two-body correlations in different channels are being discussed. Finally we conclude that this l-dependence can be verified experimentally by looking into the magnetization properties of liquid helium 3 and interatomic potentials.


1997 ◽  
Vol 56 (24) ◽  
pp. 15740-15743 ◽  
Author(s):  
Augusto Gonzalez ◽  
Bart Partoens ◽  
François M. Peeters

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