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Ginto
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PostPosted: Fri Apr 07, 2017 8:00 pm    Post subject: Quantum-mechanical analysis of the MO method and VB method. Reply with quoteFind all posts by Ginto

Quantum-mechanical analysis of the MO method and VB method from the position of PQS.
http://vixra.org/pdf/1704.0068v1.pdf

Abstract: The MO method and the VB method are analyzed using the principle of quantum superposition (PQS) and the method of describing a quantum system consisting of several parts. It is shown that the main assumption of the molecular orbitals method (namely, that the molecular orbital can be represented like a linear combination of overlapping atomic orbitals) enters into an insurmountable contradiction with the principle of quantum superposition. It is also shown that the description of a quantum system consisting of several parts (adopted in quantum mechanics) actually prohibits ascribe in VB method to members of equation corresponding canonical structures.

CONCLUSION. Using the quantum superposition principle, the MO method and the VB method were analyzed and it is shown that they are in contradiction with quantum mechanics. Also, using the quantum-mechanical description of a system consisting of several parts, it is shown that the attribution of canonical structures to the members of the equation is incorrect. Therefore, both the MO method and the VB method did not describe molecules with chemical bonds but actually, a lot of atoms (of which the described molecules consisted). That is, in the quantum chemical calculations, the chemical bond was "lost". Therefore, in order to "introduce" a chemical bond into calculations and avoid conflict with quantum mechanics, it is suggested to postulate the existence of MO as a new fundamental quality that describes a specific chemical bond and is not derived from simpler structural elements.

Quantum-mechanical analysis of the MO method and VB method
from the position of PQS.
http://vixra.org/pdf/1704.0068v1.pdf




1. Structure of the benzene molecule on the basis of the three-electron bond.
http://vixra.org/pdf/1606.0152v1.pdf

2. Experimental confirmation of the existence of the three-electron bond and theoretical basis ot its existence.
http://vixra.org/pdf/1606.0151v2.pdf

3. A short analysis of chemical bonds.
http://vixra.org/pdf/1606.0149v2.pdf

4. Supplement to the theoretical justification of existence of the three-electron bond.
http://vixra.org/pdf/1606.0150v2.pdf

5. Theory of three-electrone bond in the four works with brief comments.
http://vixra.org/pdf/1607.0022v2.pdf

6. REVIEW. Benzene on the basis of the three-electron bond (full version, 93 p.).
http://vixra.org/pdf/1612.0018v5.pdf

7. Quantum-mechanical aspects of the L. Pauling's resonance theory.
http://vixra.org/pdf/1702.0333v2.pdf

8. Quantum-mechanical analysis of the MO method and VB method from the position of PQS.
http://vixra.org/pdf/1704.0068v1.pdf




Bezverkhniy Volodymyr (viXra): http://vixra.org/author/bezverkhniy_volodymyr_dmytrovych

Bezverkhniy Volodymyr (Amazon): https://www.amazon.com/Volodymyr-Bezverkhniy/e/B01I41EHHS/ref=dp_byline_cont_ebooks_1

Bezverkhniy Volodymyr (Archive.org):
https://archive.org/details/@threeelectronbond

Bezverkhniy Volodymyr (Scribd):
https://www.scribd.com/user/289277020/Bezverkhniy-Volodymyr#

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