An efficient code for calculation of the 6C, 9C and 12C symbols for C3v, Td, and Oh point groups

In most cases authors are permitted to post their version of the article (e.g. in Word or Tex form) to their personal website or institutional repository. Authors requiring further information regarding Elsevier's archiving and manuscript policies are encouraged to visit: An efficient code for calculation of the 6C , 9C and 12C symbols for C 3v , T d , and O h point groups ✩ a r t i c l e i n f o a b s t r a c t Keywords: Irreducible tensorial formalism 6C symbols 9C symbols 12C symbols C 3v , T d , and O h point groups High resolution molecular spectroscopy A new code designed to calculate the 6C , 9C , and 12C symbols for C 3v , T d , and O h point groups is presented. The program is based on an algorithm that uses the symmetry property between pair and impair representations. This algorithm allows one to speed up the C-symbols calculation and increase the efficiency of spectroscopic programs based on the irreducible tensorial formalism. Nature of problem: Spectroscopy of symmetric atmospheric molecules. Solution method: The program is based on an algorithm that uses the symmetry property between pair and impair representations. Running time: The test program provided takes a few seconds for C 3v , a few minutes for T d and a few days for O h .