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Chapter 20 Many Physical Properties of a Molecule Can Be Calculated as Expectation Values of a Corresponding Quantum Mechanical Operator.

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Book Id: WPLBN0000686341
Format Type: PDF eBook
File Size: 42.72 KB.
Reproduction Date: 2005



Title: Chapter 20 Many Physical Properties of a Molecule Can Be Calculated as Expectation Values of a Corresponding Quantum Mechanical Operator.  
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Language: English
Subject: Science., Physics, Physics--Research
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Chapter 20 Many Physical Properties of a Molecule Can Be Calculated as Expectation Values of a Corresponding Quantum Mechanical Operator.. (n.d.). Chapter 20 Many Physical Properties of a Molecule Can Be Calculated as Expectation Values of a Corresponding Quantum Mechanical Operator.. Retrieved from https://gutenberg.cc/


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Excerpt: I. Calculations of Properties Other Than the Energy. There are, of course, properties other than the energy that are of interest to the practicing chemist. Dipole moments, polarizabilities, transition probabilities among states, and vibrational frequencies all come to mind. Other properties that are of importance involve operators whose quantum numbers or symmetry indices label the state of interest. Angular momentum and point group symmetries are examples of the latter properties; for these quantities the properties are precisely specified once the quantum number or symmetry label is given (e.g., for a 3P state, the average value of L2 is <3P|L2|3P> = h21(1+1) = 2h2).

 

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