期刊
JOURNAL OF MATHEMATICAL CHEMISTRY
卷 51, 期 5, 页码 1388-1396出版社
SPRINGER
DOI: 10.1007/s10910-013-0153-8
关键词
Stationary distribution; Markov chain; Density matrix; Conditional probability; Natural orbital
Stationarity of electron probability distribution within the resolution of atomic orbitals is considered involving some concepts from Orbital Communication Theory and the theory of Markov Processes. A new method of evaluating electron conditional probabilities based on natural orbitals is proposed and briefly discussed.
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