R-matrix
The term R-matrix has several meanings, depending on the field of study. Its original use has been to mathematically describe nuclear reactions.{{Cite journal |last=Lane |first=A. M. |last2=Thomas |first2=R. G. |date=1958-04-01 |title=R-Matrix Theory of Nuclear Reactions |url=https://link.aps.org/doi/10.1103/RevModPhys.30.257 |journal=Reviews of Modern Physics |language=en |volume=30 |issue=2 |pages=257–353 |doi=10.1103/RevModPhys.30.257 |issn=0034-6861}} In particular the general problem of nuclear reactions is to relate the values of the scattering or collision matrix elements (which in principle can be obtained from measurements) to the (slow) dynamics of nuclear structure. The R-matrix formalism describes the effects of the interaction of the nucleus with the outside world. Its interior is not specified, i.e. it is considered a "black box". The original formulations of the theory came from nuclear scientists Wigner,{{Cite journal |last=Wigner |first=Eugene P. |date=1946-11-01 |title=Resonance Reactions |url=https://journals.aps.org/pr/abstract/10.1103/PhysRev.70.606 |journal=Physical Review |volume=70 |issue=9-10 |pages=606–618 |doi=10.1103/PhysRev.70.606}}{{Cite journal |last=Wigner |first=Eugene P. |date=1946-07-01 |title=Resonance Reactions and Anomalous Scattering |url=https://journals.aps.org/pr/abstract/10.1103/PhysRev.70.15 |journal=Physical Review |volume=70 |issue=1-2 |pages=15–33 |doi=10.1103/PhysRev.70.15}} Eisenbud, Breit,{{Cite journal |last=Breit |first=G. |last2=Wigner |first2=E. |date=1936-04-01 |title=Capture of Slow Neutrons |url=https://journals.aps.org/pr/abstract/10.1103/PhysRev.49.519 |journal=Physical Review |volume=49 |issue=7 |pages=519–531 |doi=10.1103/PhysRev.49.519}} Blatt, Weisskopf, and others.{{cite journal | last1=Wigner | first1=E. P. | last2=Eisenbud | first2=L. | title=Higher Angular Momenta and Long Range Interaction in Resonance Reactions | journal=Physical Review | publisher=American Physical Society (APS) | volume=72 | issue=1 | date=1947-07-01 | issn=0031-899X | doi=10.1103/physrev.72.29 | pages=29–41| bibcode=1947PhRv...72...29W }} Related theories are U-matrix, S-matrix, by M-matrix, or T-matrix.{{Cite book |last=Paetz gen. Schieck |first=Hans |url=https://link.springer.com/10.1007/978-3-642-53986-2 |title=Nuclear Reactions: An Introduction |date=2014 |publisher=Springer Berlin Heidelberg |isbn=978-3-642-53985-5 |series=Lecture Notes in Physics |volume=882 |location=Berlin, Heidelberg |language=en |doi=10.1007/978-3-642-53986-2}}
Other meanings and uses
The term R-matrix is used in connection with the Yang–Baxter equation, first introduced in the field of statistical mechanics in the works of J. B. McGuire in 1964{{cite journal | last=McGuire | first=J. B. | title=Study of Exactly Soluble One-Dimensional N-Body Problems | journal=Journal of Mathematical Physics | publisher=The American Institute of Physics (AIP) | volume=5 | issue=5 | date=1964-05-01 | issn=0022-2488 | doi=10.1063/1.1704156 | pages=622–636 | bibcode=1964JMP.....5..622M }} and C. N. Yang in 1967{{cite journal | last=Yang | first=C. N. | title=Some Exact Results for the Many-Body Problem in one Dimension with Repulsive Delta-Function Interaction | journal=Physical Review Letters | publisher=American Physical Society (APS) | volume=19 | issue=23 | date=1967-12-04 | issn=0031-9007 | doi=10.1103/PhysRevLett.19.1312 | pages=1312–1315 | bibcode=1967PhRvL..19.1312Y }} and in the group algebra of the symmetric group in the work of A. A. Jucys in 1966.{{cite journal | last=Jucys | first=A. A. | title=On the Young operators of the symmetric group | journal=Lietuvos Fizikos Rinkinys | publisher=Gos. Izd-vo Polit. i Nauch. literatury. | volume=11 | issue=23 | date=1966 | pages=163–180 | url=https://www.lietuvos-fizikai.lt/chessidr/straipsniai/LietFizRink/LFR-1971-v11-p5-AlgJucys-Factorization_of_Young_projection_operators_for_the_symmetric_group.pdf}} The classical R-matrix arises in the definition of the classical Yang–Baxter equation.{{cite journal | last=Kupershmidt | first=Boris A. | title=What a Classical r-Matrix Really Is | journal=Journal of Nonlinear Mathematical Physics | publisher=Informa UK Limited | volume=6 | issue=4 | year=1999 | issn=1402-9251 | doi=10.2991/jnmp.1999.6.4.5 | pages=448–488| bibcode=1999JNMP....6..448K | arxiv=math/9910188 }}
In quasitriangular Hopf algebra, the R-matrix is a solution of the Yang–Baxter equation.
The numerical modeling of diffraction gratings in optical science can be performed using the R-matrix propagation algorithm.{{cite journal | last=Li | first=Lifeng | title=Bremmer series, R-matrix propagation algorithm, and numerical modeling of diffraction gratings | journal=Journal of the Optical Society of America A | publisher=The Optical Society | volume=11 | issue=11 | date=1994-11-01 | issn=1084-7529 | doi=10.1364/josaa.11.002829 | pages=2829–2836| bibcode=1994JOSAA..11.2829L }}
R-matrix method in quantum mechanics
There is a method in computational quantum mechanics for studying scattering known as the R-matrix. Using the original R-matrix theory as a basis, a method was developed for electron, positron and photon scattering by atoms.{{cite journal | last1=Burke | first1=P G | last2=Hibbert | first2=A | last3=Robb | first3=W D | title=Electron scattering by complex atoms | journal=Journal of Physics B: Atomic and Molecular Physics | publisher=IOP Publishing | volume=4 | issue=2 | year=1971 | issn=0022-3700 | doi=10.1088/0022-3700/4/2/002 | pages=153–161| bibcode=1971JPhB....4..153B }} This approach was later adapted for electron, positron and photon scattering by molecules.{{cite journal | last=Schneider | first=Barry | title=R-matrix theory for electron-atom and electron-molecule collisions using analytic basis set expansions | journal=Chemical Physics Letters | publisher=Elsevier BV | volume=31 | issue=2 | year=1975 | issn=0009-2614 | doi=10.1016/0009-2614(75)85010-x | pages=237–241| bibcode=1975CPL....31..237S }}{{cite journal | last=Schneider | first=Barry I. | title=R-matrix theory for electron-molecule collisions using analytic basis set expansions. II. Electron-H2 scattering in the static-exchange model | journal=Physical Review A | publisher=American Physical Society (APS) | volume=11 | issue=6 | date=1975-06-01 | issn=0556-2791 | doi=10.1103/physreva.11.1957 | pages=1957–1962| bibcode=1975PhRvA..11.1957S }}C J Gillan, J Tennyson, and P G Burke, in Computational Methods for Electron-Molecule Collisions, eds. W M Huo and F A Gianturco, (Plenum, New York, 1995), p. 239
Other applications
R-matrix method is used in UKRmol{{cite journal | last1=Carr | first1=J.M. |last2=Galiatsatos | first2=P.G. | last3=Gorfinkiel |first3=J.D.| last4=Harvey |first4=A.G. | last5=Lysaght |first5=M.A. |last6=Madden |first6=D. | last7=Mašín |first7=Z. | last8=Plummer |first8=M.| last9=Tennyson |first9=J. | title=The UKRmol program suite. | journal=Eur. Phys. J. D |year=2012 | issue=66 | pages=58| doi=10.1140/epjd/e2011-20653-6 }} and UKRmol+{{cite journal | journal=Computer Physics Communications | volume=249 | pages=107092 | last1=Mašín | first1=Zdeněk | last2=Benda | first2=Jakub | last3=Gorfinkiel | first3=Jimena D. | last4=Harvey |first4=Alex G.| last5=Tennyson |first5=Jonathan | title=UKRmol+: A suite for modelling electronic processes in molecules interacting with electrons, positrons and photons using the R-matrix method | date=2019-12-07 | doi=10.1016/j.cpc.2019.107092| arxiv=1908.03018 }} code suits. The user-friendly software Quantemol Electron Collisions (Quantemol-EC) and its predecessor Quantemol-N are based on UKRmol/UKRmol+ and employ MOLPRO package for electron configuration calculations.