Question #37871

sir can you please provide me all the conditions or laws to form a allotrope of carbon

Expert's answer

This question cannot have the clear answer. The only rule which determines the structure of crystals is the Schrödinger equation, which cannot be analytically solved for systems with more than one electron. The various approximations and semi-quantative methods to describe the electron properties of molecules are known at this time, but if you need the precise answer, you should make calculations ab initio ("from the beginning"). Such calculations can be carried out only on modern cluster computers and require a lot of time.

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Assignment Expert17.03.14, 14:47Dear Sandeep!

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sandeep15.03.14, 09:33thank you sir thank u very much

Assignment Expert14.03.14, 18:47K. I. Ramachandran, Gopakumar Deepa, Krishnan Namboori, Computational Chemistry and Molecular Modeling: Principles and Applications, Springer, 2008

http://books.google.com.ua/books?id=_imHsqknUAQC

sandeep20.02.14, 15:24ok thanks for your help sir can u please let me know that where can i get the example(in any book or site)in detail

thank you

Assignment Expert18.02.14, 15:39The result of such calculations is a very large in size log and the optimized geometry of structure represented in z-matrix or in some other forms. The computing calculation are very complex. They are based on quantitative solving of Schrodinger equation.

sandeep01.02.14, 10:32thank u for answering my question sir can u please provide me one example of the calculation and details explaination

thank you

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