ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The problems connected with the simulation by the diffusion quantum Monte Carlo method of atomic and molecular systems in the two-dimensional (2D) space have been investigated on the 1 2S and 2 2S states of the hydrogen atom and on the 1 1S and 1 3S states of the helium atom, assuming r-1 Coulomb interactions between the particles. The potential surface of the 1Σg+ state of the 2D hydrogen molecule has been calculated in the range 0.1-1.5 bohr: A dissociation energy of 1.2703 Hartrees is found at the equilibrium distance of 0.3639 bohr. © 1994 John Wiley & Sons, Inc.
Additional Material:
4 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560500604
