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A CODE TO INVERT THE FOURIER SINE OR COSINE TRANSFORM--FTI-2

Technical Report ·
OSTI ID:4251594
abstract can not be scanned. 7878<>13:007879A complete set of potential energy curves arising from the interaction of two excited hydrogen atoms, with 2s and 2p electrons, is given for intermediate to large separations. Accurate results were obtained for the first-order perturbation energies by using exact integrals and properly symmetrized wave functions with an effective nuclear charge of one; ionic or polar terms were not included. Approximate values were obtained for the second-order perturbation energies by using nonsymmetrized wave functions and omitting all terms in the perturbation Hamiltonian beyond the leading one. For most states, the second-order perturbation energies were found to contribute little to the total interaction energy even at large distances, where, due to dipole-dipole, dipole-quadrupole and quadrupolequadrupole couplings, the first order perturbation does not vanish. All triplet SIGMA and pi states were found to lie lower than the corresponding singlet states, contrary to the generally accepted hypothesis that states with opposite spin are most stable. Tables of integrals involving 2p and hydrogenic 2s orbitals are given. (auth)
Research Organization:
Westinghouse Electric Corp. Bettis Plant, Pittsburgh
DOE Contract Number:
AT(11-1)-GEN-14
NSA Number:
NSA-13-007878
OSTI ID:
4251594
Report Number(s):
WAPD-TM-46(Add.)
Country of Publication:
United States
Language:
English

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