75 citations · 96 across the 3 of their papers we have counts for
4 papers
Efficient construction of involutory linear combinations of anti-commuting Pauli generators for large-scale iterative qubit coupled cluster calculations
Ilya G. Ryabinkin, Andrew J. Jena, Scott N. Genin
We present an efficient method for construction of a fully anti-commutative set of Pauli generators (elements of the Pauli group) from a commutative set of operators that are compo…
Mixed quantum-classical dynamics using collective electronic variables: A better alternative to electronic friction theories
Ilya G. Ryabinkin, Artur F. Izmaylov
An accurate description of nonadiabatic dynamics of molecular species on metallic surfaces poses a serious computational challenge associated with a multitude of closely-spaced ele…
Topologically correct quantum nonadiabatic formalism for on-the-fly dynamics
Loic Joubert-Doriol, Janakan Sivasubramanium, Ilya G. Ryabinkin +1
On-the-fly quantum nonadiabatic dynamics for large systems greatly benefits from the adiabatic representation readily available from the electronic structure programs. However, fre…
When do we need to account for the geometric phase in excited state dynamics ?
Ilya G. Ryabinkin, Loic Joubert-Doriol, Artur F. Izmaylov
We investigate the role of the geometric phase (GP) in an internal conversion process when the system changes its electronic state by passing through a conical intersection (CI). L…