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Formulas for evaluation of expectation values of monoelectric operators with modified gaussian functions

✍ Scribed by Franco Biondi; Oriano Salvetti; A. Gołebiewski


Publisher
John Wiley and Sons
Year
1977
Tongue
English
Weight
255 KB
Volume
12
Category
Article
ISSN
0020-7608

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✦ Synopsis


Abstract

Formulas are presented for the evaluation of the expectation values of various monoelectronic operators. The integrals are based on „Hermite‐Gausian”︁ or „Modified Gaussian Functions”︁ and are expressed in suitable form for a computer programming. It is pointed out that the final expresions are simpler than the analogou omes obtained from the usual Gausian functions and can be written as linear combinations of a few baic integrals.


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A well known formula for evaluating Toeplitz determinants with rational generating functions due to DAY [Trans. Amer. Math. SOC. 206 (1975), 224 -2451 is complemented by a little known formula involving determinant of reduced order. The latter formula is used to evaluate some Toeplitz determinants w