Excitation energies for transition metal compounds from time-dependent density funtional theory. Applications to MnO4-, Ni(CO)4 and Mn2(CO)10.

S.J.A. van Gisbergen; J.A. Groeneveld; A. Rosa; J.G. Snijders; E.J. Baerends

doi:10.1021/jp991060y

Excitation energies for transition metal compounds from time-dependent density funtional theory. Applications to MnO4-, Ni(CO)4 and Mn2(CO)10.

S.J.A. van Gisbergen, J.A. Groeneveld, A. Rosa, J.G. Snijders, E.J. Baerends

Theoretical Chemistry

Research output: Contribution to Journal › Article › Academic › peer-review

Original language	English
Pages (from-to)	6835-6844
Journal	The Journal of Physical Chemistry A
Volume	103
Issue number	34
DOIs	https://doi.org/10.1021/jp991060y
Publication status	Published - 1999

Access to Document

10.1021/jp991060y

Persistent URL (handle)

Persistent link

Cite this

@article{13966126182048d0946dcbed04215179,

title = "Excitation energies for transition metal compounds from time-dependent density funtional theory. Applications to MnO4-, Ni(CO)4 and Mn2(CO)10.",

author = "{van Gisbergen}, S.J.A. and J.A. Groeneveld and A. Rosa and J.G. Snijders and E.J. Baerends",

year = "1999",

doi = "10.1021/jp991060y",

language = "English",

volume = "103",

pages = "6835--6844",

journal = "The Journal of Physical Chemistry A",

issn = "1089-5639",

publisher = "American Chemical Society",

number = "34",

}

TY - JOUR

T1 - Excitation energies for transition metal compounds from time-dependent density funtional theory. Applications to MnO4-, Ni(CO)4 and Mn2(CO)10.

AU - van Gisbergen, S.J.A.

AU - Groeneveld, J.A.

AU - Rosa, A.

AU - Snijders, J.G.

AU - Baerends, E.J.

PY - 1999

Y1 - 1999

U2 - 10.1021/jp991060y

DO - 10.1021/jp991060y

M3 - Article

SN - 1089-5639

VL - 103

SP - 6835

EP - 6844

JO - The Journal of Physical Chemistry A

JF - The Journal of Physical Chemistry A

IS - 34

ER -