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4.4.11. Angarmonichesky model

The decision of oscillatory equation SHredingera with angarmonichnym in potential in «the self-co-ordinated field» (VSCF) is enough resursoemko and for specification of expression (4.80) most often use the oscillatory theory of perturbation.

If to take into consideration angarmonichnost generally oscillatory energy will be defined by the formula (4.90),

Which taking into account the first and second correction of the theory of perturbation contains square-law members [309, 310]. Last summand in (4.90) result ins convergences of levels, i.e. them koyolichestvo for everyone 4и ωiограничено from above some number nv: vinv, vk ≤ Q; vi, uk - oscillatory quantum numbers, and χiA - a symmetric matrix of constants angarmoyonichnosti.

The constant angarmonichnosti mala in comparison with other members of some (4.90) and routinely falls [11-20]. In (4.90) and (4.91) Ekkтvk) and E0в J. Expression eneryogii zero fluctuations (4.92) in the Dzh/MOLE is

Thus, use of the theory of perturbation result ins to expression, vkljuyochajushchemu in Ekol the summand which size defines, and interaction (interferenyotsiju) fluctuations, and them angarmonichnost. As a quantitative measure of these effects serves poyostojannaja angarmonichnosti ^, to. Routinely \^, to \ 0, summation occurs in harmonious approach (χi, iполагаются equal to zero), in other cases - in angarmonicheskom. Simultaneously on (4.82) and (4.95) values Е0 found for harmonious and angarmonicheskoj the models found stand out.

4.5.

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A source: Turovtsev Vladimir Vladimirovich. Creation and application of a quantum mechanical model for calculating the thermodynamic properties of substances in a wide range of temperatures. Thesis for the degree of doctor of physico-mathematical sciences. Tver - 2014. 2014

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