# 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} }

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…

## 9 Citations

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

- ChemistrySIAM J. Math. Anal.
- 2018

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

- Physics
- 2020

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

- Physics
- 2008

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

- Computer ScienceSIAM J. Sci. Comput.
- 2017

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.

- PhysicsThe Journal of chemical physics
- 2006

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

- Physics
- 2006

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

- Physics
- 2004

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)…

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