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Subsections


TRANS

Introduction

For transitions between states of the same parity, it often is the case that the transitions are between levels of the same term or, possibly, between states that have been optimized simultaneously. Under these circumstances, the orbitals will be orthogonal, and the program trans may be used. This has been extended to arbitrarily filled f-shells.

Program Structure

Figure 12.39: trans program structure.
\begin{figure}\begin{center}
\centerline{\psfig{figure=tex/fig/trans_main.epsi}}\end{center}\end{figure}

When orbitals in the initial and final state are orthogonal, the program trans may be used. This happens often to be the case for forbidden transitions between levels of a Breit-Pauli calculation.

Input data

The user provides the following input data:
  1. Name of Initial State
    This program requires that the name of the sate, denoted here as <name>, to be specified. The program expects expects all data from <name>.c, <name>.w and either of <name>.l, or <name>.j.
  2. Name of Final State

  3. intermediate printing (y or n) ?
    The user may request more detailed printouts.

  4. Type
    The following options are provided;

  5. transitions only for E(initial) < E(final) (y or n)
    This option determines if the output should contain the transitions in the order Initial State - Final State

  6. Default Rydberg constant (y/n)
    If the answer is "y" the default value of 109729.7893 is used.

  7. Relativistic calculation ? (y/n)
    The relativistic calculations expect <name>.j for the expansion coefficients.

  8. Type of transition ? (E1, E2, M1, M2, .. or *)

  9. Use existing file for Angles ? (y/n)
    This option allows reuse of angular data if the user decides to rerun the calculation.

An interactive session is shown below:

#  ........An E2 transition between two odd parity states........
  Name of Initial State
E1
  Name of Final State
E1
  intermediate printing (y or n) ?
n
  transitions only for E(initial) < E(final) (y or n) ?
y
 Default Rydberg constant (y/n)
y
  Relativistic calculation ? (y/n)
y
  Type of transition ? (E1, E2, M1, M2, .. or *)
E2
  Use existing file for Angles ? (y/n)
n
------------------------------------------------------------------------

I/O File Formats

trans uses the same set of input files and writes the transition data using the same format as described for the .ls and .lsj. The file formats are shown in  [*]

Figure 12.40: trans IO files.
\begin{figure}\begin{center}
\centerline{\psfig{figure=tex/fig/trans_io.eps}}\end{center}\end{figure}


next up previous contents
Next: Utility programs Up: ATSP2K manual Previous: ISO   Contents
2001-10-11