24 citations · 28 across the 3 of their papers we have counts for
3 papers
Surface Hopping, Electron Translation Factors, Electron Rotation Factors, Momentum Conservation, and Size Consistency
Vishikh Athavale, Xuezhi Bian, Zhen Tao +5
For a system without spin-orbit coupling, the (i) nuclear plus electronic linear momentum and (ii) nuclear plus orbital electronic angular momentum are good quantum numbers. Thus,…
Representation and Conservation of Angular Momentum in the Born-Oppenheimer Theory of Polyatomic Molecules
Robert Littlejohn, Jonathan Rawlinson, Joseph Subotnik
This paper concerns the representation of angular momentum operators in the Born-Oppenheimer theory of polyatomic molecules and the various forms of the associated conservation law…
The Parallel-Transported (Quasi)-Diabatic Basis
Robert Littlejohn, Jonathan Rawlinson, Joseph Subotnik
This article concerns the use of parallel transport to create a diabatic basis. The advantages of the parallel-transported basis include the facility with which Taylor series expan…