Excitation Energies for Transition Metal Compounds from Time-Dependent Density Functional Theory. Applications to MnO4-, Ni(CO)4, and Mn2(CO)10-Reference-Cited by-同舟云学术

Excitation Energies for Transition Metal Compounds from Time-Dependent Density Functional Theory. Applications to MnO4-, Ni(CO)4, and Mn2(CO)10

Published:1999-08-01 Issue:34 Volume:103 Page:6835-6844
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

van Gisbergen S. J. A.¹,Groeneveld J. A.¹,Rosa A.¹,Snijders J. G.¹,Baerends E. J.¹

Affiliation:

1. Section Theoretical Chemistry, Vrije Universiteit, De Boelelaan 1083, 1081 HV, Amsterdam, The Netherlands, Dipartimento di Chimica, Università della Basilicata, Via N. Sauro, 85, 85100 Potenza, Italy, and Theoretical Chemistry and Materials Science Centre, Rijksuniversiteit Groningen, Nijenborgh 4, 9747 AG Groningen, The Netherlands

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp991060y

Reference85 articles.

1. Density-functional approach to local-field effects in finite systems: Photoabsorption in the rare gases

2. Density-Functional Theory for Time-Dependent Systems

3. A density functional theory study of frequency‐dependent polarizabilities and Van der Waals dispersion coefficients for polyatomic molecules

4. Dynamic polarizabilities and excitation spectra from a molecular implementation of time‐dependent density‐functional response theory: N2as a case study

Cited by 216 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. 9-Borafluoren-9-yl and diphenylboron tetracoordinate complexes of 8-quinolinolato ligands with heavy-atoms substituents: Synthesis, fluorescence and application in OLED devices;Dyes and Pigments;2024-09

2. Frozen Natural Orbitals for the State-Averaged Driven Similarity Renormalization Group;Journal of Chemical Theory and Computation;2024-05-15

3. On the Prediction of Spectroscopic Fingerprints of Co²⁺ Complexes Relevant for the ZIF Nucleation Process;Inorganic Chemistry;2023-09-27

4. 9-Borafluoren-9-yl and diphenylboron tetracoordinate complexes of F- and Cl-substituted 8-quinolinolato ligands: synthesis, molecular and electronic structures, fluorescence and application in OLED devices;Dalton Transactions;2023

5. Range‐separated multiconfigurational density functional theory methods;WIREs Computational Molecular Science;2021-08-13