Concepts and Methods of 2D Infrared Spectroscopy

Description

This text and software package contains many of the formulae needed for researchers to compute atomic processes, including photoionization, Auger and radiative decay, elastic scattering and ionization. The calculations are set within the Hartree-Fock approximation and its generalization to the random phase approximation with exchange. The results of calculations can be used to solve a wide range of physical problems, from atomic strucutre to cross sections of collision processes. The text explains how to use the ATOM programs, the software for which is written in FORTRAN and may be used on VAX or UNIX-based machines. The programs each consider a different range of variables. The organization of the text and software is designed to help the user calculate what they need to as easily as possible.It is a unique compendium of information for those researching atomic properties and processes, in particular for those working in computational physics. It will be useful to those working in atomic and molecular physics, astrophysics, radiation physics, plasma physics, and solid state physics to obtain accurate information about atomic structure 1. Introduction -- 2. Designing multiple pulse experiments -- 3. Mukamelian or perturbative expansion of the density matrix -- 4. Basics of 2D IR spectroscopy -- 5. Polarization control -- 6. Molecular couplings -- 7. 2D IR lineshapes -- 8. Dynamic cross peaks -- 9. Experimental designs, data collection and processing -- 10. Simple simulation strategies -- 11. Pulse sequence design: some examples -- Appendices -- References -- Index