Report On Molecular Orbital Theory
Report On Molecular Orbital Theory
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I precisely. In view of the situation just described, it seems fairly sure that the JJ method is in general to be preferred if results are desired only for state N.
On the other hand, if results are desired also for excited state we note that (to a good approximation, as discussed earlier in this (70\ N-0 N-0 Section '), the solutions u and are acceptable for the f~> 3 - 124 - . N-l, N-l states T Q2, T Q3, V Q, V Q3, while the solutions, 3 are accept able for the states T 1Q, T, , V_, V ; where...as, as will be shov/n belov ** J-J 12 13 the solutions N and obtained from the j? secular equation are nol o : acceptable . S for the excited states. This suggests the following as a good overall procedure for work with both N and T f, V f states: (1) by successive approximations, obtain the best self-consistent j). , O f s, /3 f s, , and using the jf ' method; (2) from the resulting N-f Of 1 * and 3 1J > by means of Eqs . (147), (148), compute the CX s and ' 8 for f s and 1, then solve secular equations based on these WA .
What to read after Report On Molecular Orbital Theory?
You can find similar books in the "Read Also" column, or choose other free books by Robert Sanderson Mulliken to read onlineMoreLess
To quickly assess the difficulty of the text, read a short excerpt:
I precisely. In view of the situation just described, it seems fairly sure that the JJ method is in general to be preferred if results are desired only for state N.
On the other hand, if results are desired also for excited state we note that (to a good approximation, as discussed earlier in this (70\ N-0 N-0 Section '), the solutions u and are acceptable for the f~> 3 - 124 - . N-l, N-l states T Q2, T Q3, V Q, V Q3, while the solutions, 3 are accept able for the states T 1Q, T, , V_, V ; where...as, as will be shov/n belov ** J-J 12 13 the solutions N and obtained from the j? secular equation are nol o : acceptable . S for the excited states. This suggests the following as a good overall procedure for work with both N and T f, V f states: (1) by successive approximations, obtain the best self-consistent j). , O f s, /3 f s, , and using the jf ' method; (2) from the resulting N-f Of 1 * and 3 1J > by means of Eqs . (147), (148), compute the CX s and ' 8 for f s and 1, then solve secular equations based on these WA .
What to read after Report On Molecular Orbital Theory?
You can find similar books in the "Read Also" column, or choose other free books by Robert Sanderson Mulliken to read onlineMoreLess
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