Abstract
It is obvious from the discussion given in Chap. 2 that for a proper study of the entanglement properties of a system of more than one particle, one needs to know the density matrix of the quantum state one is interested in. For an ab-initio calculation of such a density matrix, the corresponding density operator is always required. This chapter presents useful methodologies for calculating the density operators and density matrices for the processes (1.1)–(1.8).
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- 1.
- 2.
Equation (3.3c) is appropriate for describing a γ r in a definite state of polarization (i.e., LP, RCP, LCP, or UP). Density matrix for an arbitrarily polarized photon is given in the Appendix B on pages 265–268.
- 3.
\(\hat{\boldsymbol{\xi }}_{0}\:\:\, = \hat{\boldsymbol{e}}_{z} :\) linear polarization along the OZ-axis;\(\hat{\boldsymbol{\xi }}_{+1} = - \frac{1} {\sqrt{2}}(\hat{\boldsymbol{e}}_{x} + i\hat{\boldsymbol{e}}_{y})\): right circular polarization;\(\hat{\boldsymbol{\xi }}_{-1} = \frac{1} {\sqrt{2}}(\hat{\boldsymbol{e}}_{x} - i\hat{\boldsymbol{e}}_{y})\): left circular polarization.
- 4.
For a definition of trace of a matrix, see, for example, (3.8) on page 254.
- 5.
A somewhat detailed, but quantitative, discussion of this topic is given in the Appendix C on pages 269–271.
- 6.
- 7.
- 8.
For an n e-electron atom with nuclear charge Ze, the SOI is given by [10, 60, 184, 186]
$$\displaystyle\sum _{i}^{n_{e}}\,\xi (r_{ i})\,\boldsymbol{\ell}_{i} \cdot \boldsymbol{s}_{i}\qquad \text{with}\qquad \xi (r_{i}) = \frac{{\hslash }^{2}} {2m_{e}^{2}{c}^{2}}\,\frac{Z{e}^{2}} {4\pi \epsilon _{0}} \, \frac{1} {r_{i}^{3}}.$$Here, while r i is the distance of the i-th electron from the nucleus, ℓ i and s i are its orbital and spin angular momenta, respectively. Electrons only in an incomplete shell contribute to this sum as the contributions of those in a full shell add to zero [59].
- 9.
- 10.
See the discussion given on pages 50 in the last paragraph of Sect. 3.1.1.
- 11.
- 12.
Parity of a molecular state is shown by a +/- superscript on the symbol representing this state.
- 13.
This line is called also the inter-nuclear axis in a linear molecule. Its direction is given by the unit vector \(\hat{\boldsymbol{e}}_{z_{m}}\) along the polar OZ m-axis of the MF.
- 14.
The projection of R along the inter-nuclear axis is always zero. Hence, \(\hat{\boldsymbol{e}}_{z_{m}} \cdot \boldsymbol{N}_{} = \hat{\boldsymbol{e}}_{z_{m}}\) ⋅L \(\equiv \) Λ.
- 15.
It, in other words, means that on the inversion through the origin “O” of the co-ordinate system in Fig. 9.1 of the position vectors of all the particles (i.e., electrons and nuclei) present in a RLM \(\mathfrak{T}\), state (3.48a) does not change its sign if s + \(\mathfrak{p}_{0} + N_{0}\) is even; otherwise (i.e., for s + \(\mathfrak{p}_{0} + N_{0}\) odd), the sign of (3.48a) is reversed.
- 16.
In expression (3.49) and elsewhere, \(\mathcal{D}_{\lambda _{p}\,m_{p}}^{\ell_{p}}(\omega _{m})\) rotates photoelectron’s orbital angular momentum vector ℓ p from MF to SF in Fig. 9.1; whereas \({\Bigl [\mathcal{D}_{\mu _{p}\,\nu _{p}}^{\frac{1} {2} }{(\omega _{p})\Bigr ]}}^{{\ast}}\) is used for taking e p’s spin quantization direction from OZ-axis to \(\hat{\boldsymbol{u}}_{p}\) in SF.
- 17.
An expression for \(\vert {1}^{{+}^{{\ast}} }\rangle\) in the present situation is readily obtained on the replacement 0 \(\rightarrow {1}^{{+}^{{\ast}} }\) everywhere in (3.48).
- 18.
In order to obtain an expression for \(\vert {2}^{+}\rangle\) representing the dication \({\mbox{ $\mathfrak{T}$}}^{2+}\) of the RLM \(\mathfrak{T}\) in the absence of SDIs in Hund’s coupling scheme (b), one merely needs to replace 0 by 2 + everywhere in (3.48).
- 19.
The replacement p → a every where in (3.49) will give us a spin–orbital for the Auger electron e a in the absence of SDIs in Hund’s case (b).
- 20.
These circumstances are similar to those of atomic cases wherein spin–orbit coupling vanishes identically, or is negligibly small, whenever an atom’s orbital and/or spin angular momentum is nil (i.e., atom’s electronic state is S and/or has spin multiplicity one), or it has a small atomic number Z.
- 21.
- 22.
- 23.
These two states are obtained on making everywhere the respective replacements 0 \(\rightarrow {1}^{{+}^{{\ast}} }\) and 0 \(\rightarrow {2}^{+}\) of the subscripts in (3.62).
- 24.
Replacement of the subscript p by a at every place in (3.64) will immediately provide an expression for | μ a{u}a k a⟩ in Hund’s case (a).
References
B.H. Bransden, C.J. Joachain, Physics of Atoms and Molecules, 2nd edn. (Benjamin Cummings, New York, 2003)
M. Barbieri, F. De Martini, G. Di Nepi, P. Mataloni, G.M. D’Ariano, C. Macchiavello, Phys. Rev. Lett. 91, 227901 (2003)
S. Parida, N. Chandra, R. Ghosh, Eup. Phys. J. D 65, 303 (2011)
S. Parida, N. Chandra, Phys. Lett. A 373, 1852 (2009); Phys. Rev. A 79, 062501 (2009)
C. Cohen-Tannoudji, B. Diu, F. Laloë, Quantum Mechanics, Vol. I & II (John Wiley, New York, 1978)
L.I. Schiff, Quantum Mechanics, 3rd rev. ed. (McGraw-Hill, New York, 1968)
M. Weissbluth, Atoms and Molecules (Academic, New York, 1978)
K. Blum, Density Matrix Theory and Applications, 3rd edn. (Springer, Berlin, 2012)
U. Fano, Revs. Mod. Phys. 29, 74 (1957)
A. de-Shalit, I. Talmi, Nuclear Shell Theory (Dover, New York, 2004)
A.R. Edmonds, Angular Momentum in Quantum Mechanics (Princeton University Press, Princeton, 1996)
R.N. Zare, Angular Momentum (Wiley-Interscience, 1988)
M. Mizushima, Theory of Rotating Diatomic Molecules (Wiley, 1975)
M. Tinkham, Group Theory and Quantum Mechanics (Dover, 2003)
H.A. Bethe, E.E. Salpeter, Quantum Mechanics of One- and Two-Electron Atoms (Springer, Berlin, 1957)
P. Auger, Commn. Royal Acad. Sci. Paris 178, 929 (1924)
P. Auger, Commn. Royal Acad. Sci. Paris 178, 1535 (1924)
J. Xie, R.N. Zare, J. Chem. Phys. 93, 3033 (1990)
M. Seevinck, Jos Uffink, Phys. Rev. A 78, 032101 (2008)
N. Chandra, in Frontiers in Atomic. Molecular, and Optical Physics, eds. S.S. Bhattacharyya, S.C. Mukherjee, Special publication for the 75th year of the Indian Journal of Physics, 3, 279 (2003)
V.L. Jacobs, J. Phys. B 5, 2257 (1972)
N. Chandra, Chem. Phys. 108, 301 (1986)
P. Auger, Commn. Royal Acad. Sci. Paris 182, 776 (1926)
P. Auger, Commn. Royal Acad. Sci. Paris 177, 169 (1923)
T. Aberg, G. Howat, Handbuch der Physik 31, 469 (1982)
V.B. Berestetski, E.M. Lifshitz, L.P. Pitaevskii, Relatistic quantum Theory (Pergmon Press, N.Y.), Part 1, pp. 136
G. Breit, H.A. Bethe, Phys. Rev. 93, 888 (1954)
M. Dubé, P.C.E. Stamp, Int. J. Mod. Phys. B 12, 1191 (1998)
M. Thorwart, P. Hänggi, Phys. Rev. A 65, 012309 (2002)
B. Lohmann, Angle and Spin Resolved Auger Emission: Theory and Applications to Atoms and Molelcues (Springer Series on Atomic, Optical, and Plasma Physics, Springer-Verlag, Berlin, Vol. 46, 2009)
E.U. Condon, R. Shortley, The Theory of Atomic Spectra, (Cambridge at the University Press, England, 1970)
J.M. Brown, A.C. Carrington, Rotational Spectroscopy of Diatomic Mollecules (Cambridge University Press, Cambridge, UK, 2003)
I.I. Sobelman, Atomic Spectra and Radiative Transitions, 2nd ed. (Springer, Germany, 1992)
M. Rotenberg, R. Bivis, N. Metropolis, J.K. Wooten, Jr., The 3-j and 6-j Symbols (The Technology Press, MIT, Massachusetts, 1959)
N. Chandra, R. Ghosh, Phys. Rev. A 74, 052329 (2006)
U. Fano, Phys. Rev. 178, 131 (1969); Addendum: Phys. Rev. 184, 250 (1969)
N. Chandra, Phys. Rev. A 42, 4050 (1990)
P.G. Burke, N. Chandra, F.A. Gianturco, J. Phys. B 5, 2212 (1972)
N. Chandra, M. Chakraborty, J. Chem. Phys. 99, 7314 (1993)
F. Hund, Handbuch der Physik 24, 561 (1933)
N. Chandra, R. Ghosh, Phys. Rev. A 69, 012315 (2004)
N. Chandra, S. Sen, J. Chem. Phys. 98, 5242 (1993)
R. Ghosh, Ph.D. Thesis (Indian Institute of Technology, Kharagpur, India, 2008), unpublished
N. Chandra, R. Ghosh, Rad. Phys. Chem. 75, 1808 (2006)
R. Ghosh, N. Chandra, S. Parida, Eur. Phys. J. Special Topics 169, 117 (2009)
N. Chandra, S. Sen, J. Chem. Phys. 102, 8359 (1995)
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Chandra, N., Ghosh, R. (2013). Theory. In: Quantum Entanglement in Electron Optics. Springer Series on Atomic, Optical, and Plasma Physics, vol 67. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-24070-6_3
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