van der Waals interaction of the hydrogen molecule: An exact implicit energy density functional

@article{Choy2000vanDW,
  title={van der Waals interaction of the hydrogen molecule: An exact implicit energy density functional},
  author={Tuck C. Choy},
  journal={Physical Review A},
  year={2000},
  volume={62},
  pages={012506}
}
  • T. C. Choy
  • Published 22 November 1999
  • Physics
  • Physical Review A
We verify that the van der Waals interaction and hence all dispersion interactions for the hydrogen molecule are exactly soluble. The constants $A=6.4990267\dots{},$ $B=124.3990835\dots{},$ and $C=1135.2140398\dots{}$ (in Hartree units), first obtained approximately by Pauling and Beach using a linear variational method, can be shown to be obtainable to any desired accuracy via our exact solution. In addition, we shall show that an implicit energy density functional can be obtained, whose… 

Van der Waals Interactions Between Two Hydrogen Atoms: The Slater-Kirkwood Method Revisited

A technique of Slater and Kirkwood is examined which provides an exact resolution of the asymptotic behavior of the van der Waals attraction between two hydrogen atoms and it is proved rigorously that this approach provides an exactly solution for the ascyptotic electron correlation.

Van der Waals interactions between two hydrogen atoms: The next orders

We extend a method (E. Cances and L.R. Scott, SIAM J. Math. Anal., 50, 2018, 381--410) to compute more terms in the asymptotic expansion of the van der Waals attraction between two hydrogen atoms.

High-precision calculation of the dispersion coefficients of ground-state hydrogen using a variationally stable approach

Highly accurate computations of the van der Waals dispersion coefficients of hydrogen are presented. Using the variationally stable method of Gao and Starace [Phys. Rev. Lett. 61, 404 (1988); Phys.

Using the Tensor-Train Approach to Solve the Ground-State Eigenproblem for Hydrogen Molecules

It is shown how the discretized problems can be represented and solved in the tensor-train format and a very large number of grid points can be employed, which leads to accurate approximations of the ground-state energy and ground- state wavefunction.

Closed-form expressions for correlated density matrices: application to dispersive interactions and example of He2.

Approximate expressions are proposed which reflect dispersive interactions between closed-shell centrosymmetric subsystems which clearly illustrate the consequences of second-order correlation effects on the reduced density matrices.

Reactive collisions of atomic antihydrogen with H, He+ and He

The fermion molecular dynamics (FMD) method is used to determine the rearrangement and destruction cross sections for collisions of antihydrogen with H, He+ and He at collision energies above 0.1 au.

Field emission theory for an enhanced surface potential: a model for carbon field emitters

We propose a non-JWKB-based theory of electron field emission for carbon field emitters in which, for electrons with energy in the vicinity of the order of v to the Fermi level, the effective (1/x)

References

SHOWING 1-10 OF 24 REFERENCES

Electronic density functional theory : recent progress and new directions

Introductory Material: Brief Introduction to Density Functional Theory J.F. Dobson, M.P. Das. Digging Into the Exchange-Correlation Energy: The Exchange-Correlation Hole K. Burke. Invited Chapters on

Introduction to Quantum Mechanics: with Applications to Chemistry

AbstractOUITE a number of books have been written on quantum mechanics with applications to problems of physics. Now, however, we have something new, a book on quantum mechanics with applications to

Methods of Mathematical Physics

Partial table of contents: THE ALGEBRA OF LINEAR TRANSFORMATIONS AND QUADRATIC FORMS. Transformation to Principal Axes of Quadratic and Hermitian Forms. Minimum-Maximum Property of Eigenvalues.

Classical Electrodynamics

Electrodynamics of Particles and PlasmasBy P. C. Clemmow and J. P. Dougherty. (Addison-Wesley Series in Advanced Physics.) Pp. ix + 457. (Addison-Wesley London, September 1969.) 163s.

Phys

  • Rev. 47, 686
  • 1935

Zeits

  • f. Physik, 60, 491
  • 1930

Methods of Mathematical Physics, Vol. I

Phys

  • Rev. 37, 682
  • 1931

Proc

  • Camb. Phil. Soc. 27, 66
  • 1931

Phys

  • Rev. Lett. 80(19), 4153
  • 1998