Quantum Mechanical/Molecular Mechanical (QM/MM) Car-Parrinello Simulations in Excited States
The combination of time-dependent density functional theory (TDDFT) for the description of excited states with a hybrid quantum mechanics/molecular mechanics (QM/MM) approach enables the study of photochemical processes in complex environments. Here, we present a short overview of recent a...
| প্রধান লেখক: | , , , , , , |
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| বিন্যাস: | প্রবন্ধ |
| ভাষা: | deu |
| প্রকাশিত: |
Swiss Chemical Society
2005-07-01
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| মালা: | CHIMIA |
| বিষয়গুলি: | |
| অনলাইন ব্যবহার করুন: | https://chimia.ch/chimia/article/view/4021 |