Quantum mechanics
group of ÚTF MFF UK

Faculty of Mathematics and Physics

Program for calculations of
the vibrational excitation and dissociative electron attachment cross sections
within the nonlocal resonance model for hydrogen molecule: time-dependent approach

Description

The program NRM_For_H2_Coupled_Time_Dep_DiffEqs solves the nuclear dynamics of the electron collisions with the hydrogen molecule within nonlocal resonance model and calculates the vibrational excitation and dissociative attachment cross sections. The time-dependent approach is used and the numerical grid method introduced by T.N. Rescigno and C.W. McCurdy [1, 2] is employed. The cross sections are needed for applications in molecular and plasma physics.

Authors

Karel Houfek (karel.houfek at mff.cuni.cz)
Zdeněk Mašín

Acknowledgement

The work on this program was support by

Výzkumný záměr MSM0021620835 “Fyzika molekulárních, makromolekulárních a biologických systémů” of MŠMT,
Grant GAČR No. 202/07/0833 of the Czech Science Foundation.

Program and codes

The program was written in Fortran 90/95 and compiled by Intel Fortran Compiler. To solve a sparse linear system it uses the Direct Sparse Solver library from Intel Math Kernel Library (MKL).

source codes or precompiled executables for Windows or Linux are available from Karel Houfek (karel.houfek at mff.cuni.cz)

References

[1]

T.N. Rescigno and C.W. McCurdy, Phys. Rev. A 62, 032706 (2000)

[2]

C.W. McCurdy, M. Baertschy, and T.N. Rescigno, J. Phys. B 37, R137-R187 (2004)

Quantum mechanics group of ÚTF MFF UK