Minimal Optimized Effective Potentials for Density Functional Theory Studies on Excited-State Proton Dissociation
Recently, a new method [P. Partovi-Azar and D. Sebastiani, <i>J. Chem. Phys.</i> 152, 064101 (2020)] was proposed to increase the efficiency of proton transfer energy calculations in density functional theory by using the T<inline-formula><math xmlns="http://www.w3.org/1998...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2021-06-01
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| Series: | Micromachines |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2072-666X/12/6/679 |