1968•Journal of Physics B Atomic and Molecular PhysicsOpen access
The variational function for H2+(first excited state)
P. C. Hariharan, P. G. Khubchandani
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Abstract
For the 2pδ state of the H 2 + molecule the function ψ=(1+pRξ) exp(-αRξ) sinh(βRη) which is separable in elliptic coordinates, has been studied. The calculated energy is lower than that of any of the existing variational functions for 2 > 2. The integrals X 2 and Z 2 as well as the energy values for different nuclear separations have also been calculated.
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