Quantum Mechanical Wave Functions

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Quantum Geochemistry

Part of the book series: Springer Geochemistry ((SPRIGEO))

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Abstract

We have seen in the initial parts of this book that a wave may be defined as a disturbance in some physical system which is periodic in both space and time.

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Notes

  1. 1.

    The adopted mathematical symbolism differ slightly from what we have seen before in the same paragraph but I prefer to conform to the Authors’ style, to avoid misinterpreting.

  2. 2.

    The term double-zeta could appear misleading when referred to the double exponent. In fact the exponent is denoted with a Greek zeta (ζ) in STO’s (cf. Eqs. 12.4.4.1-12.4.4.3 for example) but with a Greek a (∝) in GTO’s (see for instance Eqs. 12.4.9.112.4.9.3).

  3. 3.

    The cutoff energy T is usually given in Rydbergs (Ry), for historical reasons. 1 Ry = 0.5 Hartree.

  4. 4.

    This approximation is generally known as Muffin Tin, for the peculiar shape of the potential in the spheres (resembling a Muffin) and flat outside (i.e. the tin). Slater, however never used this term in its 1937 paper.

  5. 5.

    The concept of over completeness was introduced by Duffin and Schaeffer (1952) for a class of non-harmonic Fourier series. In this case it is applied to plane waves. A complete system of plane waves is overcomplete if removal of an element from the system results in a system that is still complete.

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Correspondence to Giulio Armando Ottonello .

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Ottonello, G.A. (2024). Quantum Mechanical Wave Functions. In: Quantum Geochemistry. Springer Geochemistry. Springer, Cham. https://doi.org/10.1007/978-3-031-21837-8_12

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