- ...NAME=548>
- I need to
find the original reference for Prof. Pople's description of the criteria.
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- ...NAME=558>
- According to Dr. John Stanton, Mayer introduced this term, but
perhaps only in Statistical Mechanics; we need to find the reference.
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- ...energy.
- This is
only true if the 46#46 operator is truncated to a particular excitation
level. In the case of the full 46#46 operator, the calculated energy
will be an upper bound to the exact energy, and will be, in fact,
identical to the full CI energy. (See
appendix B.) However, regardless of the truncation of
46#46, the product of the Hamiltonian and the wave operator is
non-Hermitian.
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- ...commutator
- Note that this is only true if the
46#46 operators are defined in terms of spin-orbital annihilation and
creation operators and if the annihilation and creation spaces are
disjoint. Otherwise, higher-order terms may still
survive[13].
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- ...41#41.
- Note, however,
that the reference wavefunction, which is sometimes referred to as the
Fermi vacuum, may be written as a string of creation operators acting on
the true vacuum.
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- ...operators.
- Authors sometimes refer to a normal-ordered
string of annihilation and creation operators without indicating whether
this is defined with respect to the vacuum or the reference wavefunction.
Readers should therefore be cautious when they encounter this phrase in the
literature.
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- ...HREF="node21.html#twoelechamil">A.23)
- The 96#96 notation has been reduced to
only the orbital index here.
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- ...equations
- I believe there is a problem with the factors on the
166#166 terms in the doubles equation. Specifically, I seem
to have an extra factor of 167#167 that I can't account for.
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