Related Experiment Video
Updated: Mar 12, 2026

Using Three-color Single-molecule FRET to Study the Correlation of Protein Interactions
Published on: January 30, 2018
Employing an interaction picture to remove artificial correlations in multilayer multiconfiguration time-dependent
1Department of Chemistry, University of Colorado Denver, Denver, Colorado 80217-3364, USA.
Abstract:
The multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) method is implemented in the interaction picture to allow a more effective description of correlation effects. It is shown that the artificial correlation present in the original Schrödinger picture can be removed with an appropriate choice of the zeroth-order Hamiltonian. Thereby, operators in the interaction picture are obtained through time-dependent unitary transformations, which have negligible computational cost compared with other parts of the ML-MCTDH algorithm. The efficiency of the method is demonstrated by application to a model of vibrationally coupled charge transport in molecular junctions.
Related Concept Videos
¹H NMR: Interpreting Distorted and Overlapping Signals
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are...
Double Resonance Techniques: Overview
Spin decoupling is usually achieved by...
Drug Concentration Versus Time Correlation
Two pivotal parameters are the minimum effective concentration (MEC) and the minimum toxic concentration (MTC). The MEC is the...
2D NMR: Overview of Heteronuclear Correlation Techniques
2D NMR: Overview of Homonuclear Correlation Techniques
COSY90 is the standard two-dimensional (2D) COSY experiment that...
Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)
The extent of coupling depends on the C‑C bond length, the two H‑C‑C angles, any electron-withdrawing substituents, and the dihedral angle between the involved orbitals. The...

