Quaternions

Quaternions

$Q_{8}=a\cdot 1+bi+cj+dk$

where

$i^{2}=j^{2}=k^{2}=ijk=-1.\$

See also

• Q-SHAKE
• Molecular dynamics of rigid bodies

References

Related reading

• Denis J. Evans "On the representatation of orientation space", Molecular Physics 34 pp. 317-325 (1977)
• Denis J. Evans and Sohail Murad "Singularity free algorithm for molecular dynamics simulation of rigid polyatomics", Molecular Physics 34 pp. 327-331 (1977)
• D. Fincham "An Algorithm for Rotational Motion of Rigid Molecules", CCP5 Newsletter 2 pp. 6-10 (1981)
• Franz J. Vesely "Angular Monte Carlo integration using quaternion parameters: a spherical reference potential for CCl4", Journal of Computational Physics 47 pp. 291-296 (1982)
• Michael P. Allen "A molecular dynamics simulation study of octopoles in the field of a planar surface", Molecular Physics 52 pp. 717-732 (1984)