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MitsuruYamada

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07-31-2012
08:35 AM

Quantum mechanical art gallery. Could you confirm an electronic hole in a helium atom?

As I had advertised already, I have been running my computer for calculating the electron distribution of 2-dimensional hydrogen molecule.

These days, I have combined the two nuclei coordinates to form a helium atom. The program I composed can calculate the solutions for both of hydrogen molecule and helium atom. Running the computer for helium atom condition, I have surprised to find an electron deficient hole centered at the nucleus of the 2-dimensional helium atom. An electron deficient hole? Is this really true? Does this hole appear if we could do the same computation for 3-dimensional helium model? My program has avoided zero-division caused from inverse potential terms by replacing it with small finite value division. Is this trick wrong? What about the real helium atoms? Do they have such electron hole actually? Can we observe it?

Since my computer is often infected by viruses, I accordingly often clean up my computer to expel them. So if you would like, attached a word file, please open.

A man who wishes to be a computational chemist

July 31, 2012

Tags (26)

- Tags:
- 2-dimensional
- accuracy
- computation
- contour
- eigenstate
- electron_density_distribution
- electron_distribution
- electron_hole
- ground_state
- helium
- helium_atom
- inverse_potential
- kimball
- lattice
- lattice_constant
- many_body_problem
- nucleus
- photo
- quantum_mechanics
- schroedinger_equation
- shortley
- time_independent_schroedinger_equation
- two_dimensional
- two_electrons
- wave_function
- zero_division