An atomic population as the expectation value of a quantum observable

✍ Scribed by R.F.W. Bader; P.F. Zou

• Publisher: Elsevier Science
• Year: 1992
• Tongue: English
• Weight: 415 KB
• Volume: 191
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(92)85367-j

✦ Synopsis

Dirac defines an observable to be a real dynamical variable with a complete set of eigenstates. It is shown that the density operatorb= Z, 6( i$ -r), is a quantum-mechanical observable whose expectation value is the particle density and that the integral form of this operator, the number operator fi, is also a quantum-mechanical observable whose expectation value is the average number of particles. The principle of stationary action defines the expectation value and the equation of motion for every observable. Using this principle it is demonstrated that an atomic population is the expectation value of the observable fi when p is the electron density operator. An atom and its population are defined in terms of experimentally measurable expectation values of the observables b and @.