Highly Accurate Spectroscopic Parameters from Ab Initio Calculations : The Interstellar Molecules l-C3H+ and C4 (Bestmasters)

Stein, Christopher J.

Springer Spektrum（2016/08発売）

• 製本 Paperback:紙装版/ペーパーバック版／ページ数 63 p.
• 商品コード 9783658148294

Full Description

In this thesis accurate predictions for the spectroscopic parameters of l-C3H+ and C4 are made from state-of-the-art electronic structure calculations. Both molecules are of interest to interstellar cloud chemistry and only scarce experimental information about their rovibrational properties is available. Christopher J. Stein recapitulates the basics of the computational methods applied and gives an in-depth description of the computer program developed for the rovibrational calculations.

Contents

Previous Experimental and Theoretical Results for l-C3H+ and C4.- Theoretical Methods.- Results for l-C3H+.- Results for C4 in its X3Σg-Ground State.