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Calculated dipole moment and energy in collision of a hydrogen molecule and a hydrogen atom
| Content Provider | NASA Technical Reports Server (NTRS) |
|---|---|
| Author | Patch, R. W. |
| Copyright Year | 1973 |
| Description | Calculations were carried out using three Slater-type 1s orbitals in the orthogonalized valencebond theory of McWeeny. Each orbital exponent was optimized, the H2 internuclear distance was varied from 7.416 x 10 to the -11th power to 7.673 x 10 to the -11th power m (1.401 to 1.450 bohrs). The intermolecular distance was varied from 1 to 4 bohrs (0.5292 to 2.117 x 10 to the 10th power). Linear, scalene, and isosceles configurations were used. A weighted average of the interaction energies was taken for each intermolecular distance. Although energies are tabulated, the principal purpose was to calculate the electric dipole moment and its derivative with respect to H2 internuclear distance. |
| File Size | 2867239 |
| Page Count | 40 |
| File Format | |
| Alternate Webpage(s) | http://archive.org/details/NASA_NTRS_Archive_19730021001 |
| Archival Resource Key | ark:/13960/t9x10vt60 |
| Language | English |
| Publisher Date | 1973-07-01 |
| Access Restriction | Open |
| Subject Keyword | Physics, Atomic, Molecular, And Nuclear Digital Computers Electric Moments Intermolecular Forces Hydrogen Integral Equations Chemical Bonds Dipole Moments Ntrs Nasa Technical Reports Server (ntrs) Nasa Technical Reports Server Aerodynamics Aircraft Aerospace Engineering Aerospace Aeronautic Space Science |
| Content Type | Text |
| Resource Type | Technical Report |
