(Q51618042)

8 April 2018

title

Semiclassical on-the-fly computation of the S(0)-->S(1) absorption spectrum of formaldehyde. (English)

1 reference

8 April 2018

author

Eli Pollak

series ordinal

2

1 reference

8 April 2018

author name string

Jörg Tatchen

series ordinal

1

1 reference

8 April 2018

language of work or name

English

0 references

publication date

1 January 2009

1 reference

8 April 2018

Journal of Chemical Physics

published in

1 reference

8 April 2018

volume

130

1 reference

8 April 2018

issue

4

1 reference

8 April 2018

page(s)

041103

1 reference

8 April 2018

Ab initio spectroscopy and photoinduced cooling of the trans-stilbene molecule

cites work

1 reference

Theoretical investigation of intramolecular vibrational energy redistribution in highly excited HFCO.

21 January 2018

1 reference

The multi-configurational time-dependent Hartree approach

21 January 2018

1 reference

Curvy-steps approach to constraint-free extended-Lagrangian ab initio molecular dynamics, using atom-centered basis functions: convergence toward Born-Oppenheimer trajectories

21 January 2018

1 reference

Unified Approach for Molecular Dynamics and Density-Functional Theory

21 January 2018

1 reference

Direct quantum dynamics using variational multi-configuration Gaussian wavepackets. Implementation details and test case.

21 January 2018

1 reference

Generalized Gradient Approximation Made Simple

21 January 2018

1 reference

A prefactor free semiclassical initial value series representation of the propagator

21 January 2018

1 reference

Implementation of ab initio multiple spawning in the Molpro quantum chemistry package

21 January 2018

1 reference

Adiabatic time-dependent density functional methods for excited state properties

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.3074100

1 reference

8 April 2018

release_ffo3vaetxvg3jfzt4rsgz4lsve

Fatcat ID

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/ffo3vaetxvg3jfzt4rsgz4lsve

mapped directly with Wikidata item

24 November 2022

based on heuristic

1 reference

8 April 2018