Brillouin's theorem
120 стр., ISBN:
6200788812
Please note that the content of this book primarily consists of articles available from Wikipedia or other free sources online. Within quantum chemistry, Brillouin's theorem, proposed by the French physicist LA©on Brillouin in 1934, runs as follows: Suppose D1 is an optimized single determinant function and Dj is a determinant corresponding to any single excitation out of an orbital I?j occupied in D1 and into the virtual subspace (orthogonal complement) of D1, then no improvement in energy is possible taking I? = c1D1+c2Dj. The proof of this theorem is as follows: begin with a basis set that spans a function space.
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