AN ATOMIC POPULATION AS THE EXPECTATION VALUE OF A QUANTUM OBSERVABLE

被引:70
|
作者
BADER, RFW
ZOU, PF
机构
[1] Department of Chemistry, McMaster University, Hamilton
关键词
D O I
10.1016/0009-2614(92)85367-J
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Dirac defines an observable to be a real dynamical variable with a complete set of eigenstates. It is shown that the density operator rho = SIGMA(i) delta(r(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 N, is also a quantum-mechanical observable whose expectation value is the average number of particles. The principle of stationary action defines the expectation value of the equation of motion for every observable. Using this principle it is demonstrated that an atomic population is the expectation value of the observable N when rho is the electron density operator. An atom and its population are defined in terms of experimentally measurable expectation values of the observables rho and N.
引用
收藏
页码:54 / 58
页数:5
相关论文
共 50 条
  • [21] Modified Grover's algorithm for an expectation-value quantum computer
    Collins, David
    Physical Review A - Atomic, Molecular, and Optical Physics, 2002, 65 (5 A): : 523211 - 523218
  • [22] A Quantum Expectation Value Based Language Model with Application to Question Answering
    Zhao, Qin
    Hou, Chenguang
    Liu, Changjian
    Zhang, Peng
    Xu, Ruifeng
    ENTROPY, 2020, 22 (05)
  • [23] Atomic charges are measurable quantum expectation values: A rebuttal of criticisms of QTAIM charges
    Bader, RFW
    Matta, CF
    JOURNAL OF PHYSICAL CHEMISTRY A, 2004, 108 (40): : 8385 - 8394
  • [24] Modified Grover's algorithm for an expectation-value quantum computer
    Collins, D
    PHYSICAL REVIEW A, 2002, 65 (05) : 8
  • [25] ON-THE EXPECTATION VALUE
    ARAKI, G
    PROGRESS OF THEORETICAL PHYSICS, 1948, 3 (04): : 448 - 448
  • [26] Quantum gate arrays can be programmed to evaluate the expectation value of any operator
    Paz, JP
    Roncaglia, A
    PHYSICAL REVIEW A, 2003, 68 (05):
  • [27] POSITION EXPECTATION VALUE AND OSCILLATOR STRENGTH OF A BIASED ASYMMETRIC QUANTUM-WELL
    PANDEY, LN
    GEORGE, TF
    SUPERLATTICES AND MICROSTRUCTURES, 1991, 10 (01) : 5 - 11
  • [28] Shortening Grover's search algorithm for an expectation-value quantum computer
    Collins, D
    QUANTUM COMMUNICATION, MEASUREMENT AND COMPUTING, PROCEEDINGS, 2003, : 441 - 444
  • [29] An alternative one-particle quantum theory with a new expectation value postulate
    Liu, QH
    ACTA PHYSICA SINICA-OVERSEAS EDITION, 1996, 5 (04): : 241 - 249
  • [30] Quantum observable generalized orthoalgebras
    Qiang Lei
    Weihua Liu
    Zhe Liu
    Junde Wu
    Positivity, 2020, 24 : 663 - 675