Felicja Mrugala
Instytut Fizyki
Zaklad Fizyki Atomowej, Molekularnej i Optycznej
Uniwersytet Mikolaja Kopernika
Adres: ul. Grudziadzka 5
87-100 Torun
tel: (48-56) 611 3302
fax: (48-56)
622 5397
e-mail:
felicja@fizyka.umk.pl
ORCID: 0000-0002-4749-8999
WoS ResercherID: G-3813-2014
Google Scholar: UdbbEO0AAAAJ
Zakres badan: • metody obliczeniowe kwantowej teorii zderzen
atomowo-molekularnych
• dynamika i spektroskopia malych drobin
• dynamika reakcji radiacyjnych
w jonowych ukladach atom+drobina dwuatomowa
Wybrane publikacje
(wszystkie)
- F. Mrugala, Don Secrest, J. Chem. Phys. 78, 5954-61 (1983)
The generalized log-derivative method for inelastic and
reactive collisions (pdf)
- F. Mrugala, Don Secrest, J. Chem. Phys. 79, 5960-68 (1983)
A symmetrized log-derivative method for inelastic and
reactive scattering (pdf)
- F. Mrugala, J. Chem. Phys. 91, 874-89 (1989)
The generalized log-derivative method for evaluation of
second-order transition amplitudes (pdf)
- F. Mrugala, J. Chem. Phys. 93, 1257-72 (1990)
Application of the log-derivative method to variational
calculations for inelastic and reactive scattering (pdf)
- F. Mrugala, Int. Rev. Phys. Chem. 12, 1-60 (1993)
The coupled equations problem of the quantum theory of
atom-diatom reactive scattering (pdf)
- Felicja Mrugala, Robert Moszynski, J. Chem. Phys. 109, 10823-37 (1998)
Near-infrared absorption spectrum of the Ar-HD complex:
Confrontation of theory with experiment (pdf)
- Felicja Mrugala, J. Chem. Phys. 115, 3155-72 (2001)
Near-infrared absorption spectrum of the Ar-HD complex: A theoretical
study of predissociation effects (pdf)
- F. Mrugala, V. Spirko, W.P. Kraemer, J. Chem. Phys. 118, 10547-60 (2003)
Radiative association of HeH2+ (pdf)
- F.D. Colavecchia, F. Mrugala, G.A. Parker, R.T Pack, J. Chem. Phys.
118, 10387-98 (2003)
Accurate quantum calculations on three-body collisions in recombination
and collision-induced dissociation. II.
The smooth variable discretization enhanced renormalized Numerov propagator
(pdf)
- F. Mrugala, W.P.Kraemer, J.Chem. Phys. 122, 224321-1-18 (2005)
Radiative association of He+ with H2 at temperatures below 100 K (pdf)
- F. Mrugala, J. Chem. Phys. 129, 064314-1-17 (2008)
A computational study of metastable states of CO2+ (pdf)
- F. Mrugala, W.P.Kraemer, J.Chem. Phys. 138, 104315-1-28 (2013)
Radiative charge transfer in He+ +H2 collisions in the milli- to nano-electron-volt range.
A theoretical study within state-to-state and optical potential approaches (pdf)
Opracowania niepublikowane
- F. Mrugala, (2016)
Radiative quenching of He+ ions from mixtures with D2 molecules at temperatures below 100 K.
A theoretical study using 3D optical potential in a ro-vibrational adiabatic representation
(pdf)
Supplementary Material:
3He+/ 4He+ isotope effects on rates of
radiative quenching from mixtures with H2 molecules
(pdf)
- F. Mrugala, (2017-2022)
Predissociation dynamics and infrared absorption spectra of Li+-H2
and Li+-D2 complexes. A close-coupling study
(pdf)
Supplementary Material:
Part A: A summary of collision-time-delay approach to
determination of energies and widths of quasi-bound states
(pdf)
Part B: Li+-H2 complex
(pdf) ,
Part C: Li+-D2 complex
(pdf),
Part D: Vibrational predissociation. Li+-D2 versus Li+-H2
(pdf).
Part E: Li+-H2(D2) versus He+-H2(D2). Vibrational predissociation.
(pdf).
Part F: Li+-H2(D2) versus He-H2+(D2+). Vibrational bands in the absorption spectra.
(pdf).
- F. Mrugala, (2018)
Rovibronic states of the CO++ ion. Spin-orbit predissociation and tunneling
(pdf)
Supplementary Material:
Part A.
(pdf)
Part B.
(txt).