Ab initio calculation of spin-orbit coupling constants for gaussian lobe and gaussian-type wave functions

By Abegg P.W.  

Molecular Physics, Vol. 30, Iss. 2, 1975-08 ,pp. : 579-596

Taylor & Francis Ltd

Access to resources Recommend Favorite

Ab initio CI calculation of O 2 + predissociation phenomena induced by a spin-orbit coupling mechanism

By Marian Christel   Marian Ralf   Peyerimhoff Sigrid   Hess Bernd   Buenker Robert   Seger Georg  

Molecular Physics, Vol. 46, Iss. 4, 1982-07 ,pp. : 779-810

Taylor & Francis Ltd

Access to resources Recommend Favorite

Spin-orbit coupling constants from semi-empirical wavefunctions

By Hinkley R.K.   Walker T.E.H.   Richards W.G.  

Molecular Physics, Vol. 24, Iss. 5, 1972-11 ,pp. : 1095-1102

Taylor & Francis Ltd

Access to resources Recommend Favorite

Ab initio calculation of the ground state and the first excited state system of Br including spin-orbit coupling and relativistic correction to the kinetic energy operator

By Hess Bernd   Chandra Praphull   Buenker Robert  

Molecular Physics, Vol. 52, Iss. 5, 1984-08 ,pp. : 1177-1190

Taylor & Francis Ltd

Access to resources Recommend Favorite

The use of molecular dynamics simulations with ab initio SCF calculations for the determination of the oxygen-17 quadrupole coupling constant in liquid water

By Eggenberger Rolf   Gerber Stefan   Huber Hanspeter   Searles Debra   Welker Marc  

Molecular Physics, Vol. 80, Iss. 5, 1993-12 ,pp. : 1177-1182

Taylor & Francis Ltd

Access to resources Recommend Favorite