The Semiclassical Initial Value Representation: A Potentially Practical Way for Adding Quantum Effects to Classical Molecular Dynamics Simulations

By W. Miller. 2001

647 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Statistical and Nonlinear Physics

View Paper: https://www.semanticscholar.org/paper/dc9d7aa5e5cea8dd544ef65962b394f177967234

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Atomic and Molecular Physics, and Optics

1. Seogjoo J. Jang
2. Thomas E. Markland
3. Thomas F. Miller
4. Scott Habershon
5. Benedetta Mennucci
6. David E. Manolopoulos

In Statistical and Nonlinear Physics

1. Thomas E. Markland
2. Scott Habershon
3. Thomas F. Miller
4. Benedetta Mennucci
5. David E. Manolopoulos
6. Seogjoo J. Jang

Citations in the corpus

• Delocalized excitons in natural light-harvesting complexes (2018, methodology): “Well-known FDO approaches are semiclassical dynamics methods (Cotton and Miller, 2016; Huo and Coker, 2010; Miller, 2001), mixed quantumclassical approaches (Tully, 2012; Zheng et al., 2017) such as surface hopping and mean field approximations.”
• Ring-polymer molecular dynamics: quantum effects in chemical dynamics from classical trajectories in an extended phase space. (2013, background): “For example, the fact that the velocity operator is the Heisenberg time derivative of the position operator, v̂ = i [Ĥ , q̂ ], (17)”