A variational method for the ground state of a Bose fluid

A modification of the Rayleigh—Ritz variational principle is described which makes possible a calculation of the energy, wave function, and pair distribution function f 12 ≡ f ( x 1 , x 2 ) of a Bose fluid, such as liquid 4 He, at absolute zero. The assumptions made are: (i) two-body interactions with potential U ij , (ii) trial wave functions of the form f 12 ≡ f ( x 1 , x 2 ) and (iii) the Kirkwood ‘superposition' approximation. Under these approximations, the expectation energy is E = 1 2 n 2 ∫ ∫ d 3 X 1 d 3 X 2 f 12 U 12 − h 2 m − 1 ( ∇ 1 8 ϕ 12 ) + ( ∇ 1 ϕ 12 ) 2 + n ∫ d 3 X 2 f 13 f 23 ϕ 12 ⋅ ∇ 1 ϕ 13 , where n ≡ N/V . It is shown here that making E stationary with respect to independent variations in f and ɸ corresponds to simultaneously applying the ordinary Rayleigh-Ritz principle and solving the Born-Green-Yvon integral equation for f . The method is illustrated by reproducing Bogolyubov’s results for the case where U is small. The case where U is large must be dealt with numerically, but transformations for simplifying the computations are given here.

An approximate wave function expressed in terms of exponential functions, spherical harmonics, etc., with numerical coefficients has been calculated for the ground state of the beryllium atom . Judged by the energy criterion this gives a more accurate result than the Hartree result which was the best previously known. This has been calculated as a trial of a fresh method of calculating atomic wave functions. A linear combination of Slater determinants is treated by the variational method. The results suggest that this will provide a more powerful and convenient method than has previously been available for atoms with more than two electrons.


Author(s):  
G. L. Caldow ◽  
C. A. Coulson

ABSTRACTSeveral forms of the lower-bound variational method for the calculation of the eigenvalues in a wave-mechanical problem are considered, and compared; the particular case of the harmonic oscillator being chosen. All forms have certain unsatisfactory features, but some of them are considerably worse than others. One reason why calculations of lower bounds are in general less satisfactory than Ritz-type calculations of an upper bound is shown to be that whereas, in the presence of a scale factor, this latter wave-function satisfies the virial theorem, in none of the lower-bound wave-functions is this true. Similar calculations are reported for the ground state of the helium atom.


1967 ◽  
Vol 22 (11) ◽  
pp. 1771-1782
Author(s):  
Alf Löffler

On the basis of a microscopic theory the ground state wave function of a F-center electron is calculated. In Sect. 1 we derive a HAMILTON operator regarding polarization effects and the distortion of the lattice. In Sect. 2 the wave function for the ground state is calculated assuming the lattice at absolute zero temperature. In Sect. 3 we describe the dependence of the wave function on the lattice oscillations. Numerical results are given in Sect. 4. We found for the ground state of the F-center a similarity law as supposed by experiments. In the appendices we give some details on regarding polarization effects.


2009 ◽  
Vol 23 (15) ◽  
pp. 1843-1845
Author(s):  
BO-BO WEI

The wave function of a dilute hard sphere Bose gas at low temperatures is revisited. Errors in an early 1957 paper are corrected. The pair distribution function is calculated for two values of [Formula: see text].


1955 ◽  
Vol 33 (11) ◽  
pp. 668-678 ◽  
Author(s):  
F. R. Britton ◽  
D. T. W. Bean

Long range forces between two hydrogen molecules are calculated by using methods developed by Massey and Buckingham. Several terms omitted by them and a corrected numerical factor greatly change results for the van der Waals energy but do not affect their results for the static quadrupole–quadrupole energy. By using seven approximate ground state H2 wave functions information is obtained regarding the dependence of the van der Waals energy on the choice of wave function. The value of this energy averaged over all orientations of the molecular axes is found to be approximately −11.0 R−6 atomic units, a result in close agreement with semiempirical values.


2019 ◽  
Vol 28 (10) ◽  
pp. 1950087 ◽  
Author(s):  
S. M. Moosavi Nejad ◽  
A. Armat

Performing a fit procedure on the hyperon masses, we first determine the free parameters in the Cornell-like hypercentral potential between the constituent quarks of hyperons in their ground state. To this end, using the variational principle, we apply the hyperspherical Hamiltonian including the Cornell-like hypercentral potential and the perturbation potentials due to the spin–spin, spin–isospin and isospin–isospin interactions between constituent quarks. In the following, we compute the hyperon magnetic moments as well as radiative decay widths of spin-3/2 hyperons using the spin-flavor wave function of hyperons. Our analysis shows acceptable consistencies between theoretical results and available experimental data. This leads to reliable wave functions for hyperons at their ground state.


2011 ◽  
Vol 25 (19) ◽  
pp. 1619-1629 ◽  
Author(s):  
ARIJIT GHOSHAL ◽  
Y. K. HO

Ground states of a two-electron system in generalized screened potential (GSP) with screening parameter λ: [Formula: see text] where ∊ is a constant, have been investigated. Employing highly correlated and extensive wave functions in Ritz's variational principle, we have been able to determine accurate ground state energies and wave functions of a two-electron system for different values of the screening parameter λ and the constant ∊. Convergence of the ground state energies with the increase of the number of terms in the wave function are shown. We also report various geometrical expectation values associated with the system, ground state energies of the corresponding one-electron system and the ionization potentials of the system. Such a calculation for the ground state of a two-electron system in GSP is carried out for first time in the literature.


1959 ◽  
Vol 37 (10) ◽  
pp. 1187-1198 ◽  
Author(s):  
J. Van Kranendonk ◽  
Z. J. Kiss

The theory of induced infrared absorption developed previously is applied to the pressure-induced rotational spectrum of hydrogen. The intensity of the rotational band is due mainly to the quadrupolar induction effect, and to a small interference effect between the quadrupolar and overlap moments. From the experimental data on the binary absorption coefficients, values of the angle-dependent overlap moments are obtained for H2–He, H2–H2, H2–Ne, H2–N2, and H2–A. A calculation of the overlap moment for pure H2 is presented. Rosen-type wave functions appear to be inadequate for a calculation of the small angle-dependent rotational as well as vibrational overlap moments. The temperature dependence of the binary absorption coefficient is calculated, taking into account the quantum effects in the pair distribution function, and found to be in good agreement with the experimental data. The dependence on the ortho–para ratio is also discussed. The double rotational line S(1) + S(1) has been observed and its intensity measured.


2015 ◽  
Vol 70 (7) ◽  
pp. 499-505 ◽  
Author(s):  
Zahra Sharifi ◽  
Fateme Tajic ◽  
Majid Hamzavi ◽  
Sameer M. Ikhdair

AbstractThe Killingbeck potential model is used to study the influence of the external magnetic and Aharanov–Bohm (AB) flux fields on the splitting of the Dirac energy levels in a 2+1 dimensions. The ground state energy eigenvalue and its corresponding two spinor components wave functions are investigated in the presence of the spin and pseudo-spin symmetric limit as well as external fields using the wave function ansatz method.


2016 ◽  
Vol 31 (04) ◽  
pp. 1650017 ◽  
Author(s):  
Shishan Dong ◽  
Qin Fang ◽  
B. J. Falaye ◽  
Guo-Hua Sun ◽  
C. Yáñez-Márquez ◽  
...  

We present exact solutions of solitonic profile mass Schrödinger equation with a modified Pöschl–Teller potential. We find that the solutions can be expressed analytically in terms of confluent Heun functions. However, the energy levels are not analytically obtainable except via numerical calculations. The properties of the wave functions, which depend on the values of potential parameter [Formula: see text] are illustrated graphically. We find that the potential changes from single well to a double well when parameter [Formula: see text] changes from minus to positive. Initially, the crest of wave function for the ground state diminishes gradually with increasing [Formula: see text] and then becomes negative. We notice that the parities of the wave functions for [Formula: see text] also change.


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