The multiconfiguration time-dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets
A review is given on the multiconfiguration time-dependent Hartree (MCTDH) method, which
is an algorithm for propagating wavepackets. The formal derivation, numerical …
is an algorithm for propagating wavepackets. The formal derivation, numerical …
Charge transport in molecular materials: An assessment of computational methods
The booming field of molecular electronics has fostered a surge of computational research
on electronic properties of organic molecular solids. In particular, with respect to a …
on electronic properties of organic molecular solids. In particular, with respect to a …
The multi-configurational time-dependent Hartree approach
A new multi-configurational approach to the time-dependent Schrödinger equation is
proposed. This approach leads to working equations which are particularly simple and …
proposed. This approach leads to working equations which are particularly simple and …
Time-dependent quantum-mechanical methods for molecular dynamics
R Kosloff - The Journal of Physical Chemistry, 1988 - ACS Publications
I. Introduction Chemical change is brought about by the motion of electrons and nuclei within
reactingmolecules. The description of this internal motion is the subject of molecular …
reactingmolecules. The description of this internal motion is the subject of molecular …
[BOOK][B] Photodissociation dynamics: spectroscopy and fragmentation of small polyatomic molecules
R Schinke - 1995 - books.google.com
Photodissociation induced by the absorption of single photons permits the detailed study of
molecular dynamics such as the breaking of bonds, internal energy transfer and …
molecular dynamics such as the breaking of bonds, internal energy transfer and …
Wave‐packet dynamics within the multiconfiguration Hartree framework: General aspects and application to NOCl
The multiconfigurational time-dependent Hartree (MCTDH) approximation to the
timedependent Schr6dinger equation is tested for a realistic three-dimensional example, the …
timedependent Schr6dinger equation is tested for a realistic three-dimensional example, the …
[BOOK][B] Multidimensional quantum dynamics: MCTDH theory and applications
The first book dedicated to this new and powerful computational method begins with a
comprehensive description of MCTDH and its theoretical background. There then follows a …
comprehensive description of MCTDH and its theoretical background. There then follows a …
Equation-of-Motion Methods for the Calculation of Femtosecond Time-Resolved 4-Wave-Mixing and N-Wave-Mixing Signals
Femtosecond nonlinear spectroscopy is the main tool for the time-resolved detection of
photophysical and photochemical processes. Since most systems of chemical interest are …
photophysical and photochemical processes. Since most systems of chemical interest are …
Coherence in Chemistry: Foundations and Frontiers
Coherence refers to correlations in waves. Because matter has a wave-particle nature, it is
unsurprising that coherence has deep connections with the most contemporary issues in …
unsurprising that coherence has deep connections with the most contemporary issues in …
[BOOK][B] Highly efficient OLEDs: Materials based on thermally activated delayed fluorescence
H Yersin - 2019 - books.google.com
The essential resource that offers a comprehensive understanding of OLED optimizations
Highly Efficient OLEDs. Materials Based on Thermally Activated Delayed Fluorescence …
Highly Efficient OLEDs. Materials Based on Thermally Activated Delayed Fluorescence …