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  • 1
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 17 (1980), S. 1-24 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The fundamentals of the theory of density matrices are reviewed. The density matrix is introduced first in terms of state vectors for pure states over which a probability distribution is given. It is then shown that the applications of the density matrix do not require knowledge of the particular probability distribution over pure states that may have been used for its original determination. It is stressed that density matrices, like state vectors, describe ensembles rather than single systems, as determinism in quantum theory (except for some conservation laws) is of a statistical character only. The entropy of a quantum-mechanical system is defined as the average per system of the entropy of an ensemble of systems described by the quantum-mechanical (pure or mixed) state. For pure states this entropy is zero, in agreement with the fact that state vectors constitute the maximal information that can be given about a quantum-mechanical system. As the entropy should be independent of the particular probability distribution over pure states that may have been used to form the mixed state, it is calculated from statistical considerations about an imaginary ensemble in which the eigenvalues of the density matrix are probabilities over pure states given by the eigenfunctions of the density matrix. The entropy is calculated for a mixture of two nonorthogonal states. The time evolution of the density matrix, in general, is not a unitary transformation, as observable systems are not closed and therefore in the Hamiltonian contain unknown external parameters that are not the same for the entire mixture. Therefore transitions between pure states and mixed states take place. Those from pure to mixed states take place spontaneously and irreversibly under increase of entropy. Transitions from mixed states to pure states can be fabricated; an example is given. As Wigner's thought experiment of mixing coherently the two beams from a Stern-Gerlach apparatus according to estimates of Bohm should be impossible by loss of coherence in the gradient magnetic field, it is indicated how Wigner's ideas may be realized by using, instead, polarized light beams from birefringent crystals. After a brief review of the quantum theory of measurements and the various arguments usually given for the reducibility of state after the measurement, Wigner's argument against blind use of these arguments is interpreted as a limit of validity of the familiar probability rule of quantum theory, which should not be applied after an unsuccessful measurement. By splitting light beams coherently by glass plates, one can by the same apparatus have measurements both of the relative intensities of two coherent beams, and of interference effects between the two beams. This shows that complementarity applies to the individual systems in the beam, as they reach the glass plate where a choice must be made between two complementary possibilities of future measurement. Finally, by describing Schrödinger's cat by a density matrix and asking about its time dependence, it is shown that, if it were possible to measure the interference effects between living and dead cats used by some people as a justification for writing down a state vector for the cat, then this measurement could be used to revive some dead cats.
    Type of Medium: Electronic Resource
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