「functionals」の共起表現一覧(1語右で並び替え)
該当件数 : 7件
| Hybrid | functionals are a class of approximations to the exchan |
| Standard | Functionals: BP, BLYP, B3LYP, EDF1, EDF2, M06, ωB97X-D |
| extension of Volterra's theory of nonlinear | functionals for stochastic systems. |
| use of post-DFT corrections such as hybrid | functionals mixing DFT and Hartree-Fock exchange, many- |
| c structure determination which is based on | functionals of the electronic density. |
| ately started work developing his theory of | functionals which led to his interest and later contrib |
| He is successful in devising new and useful | functionals within the widely used density functional t |
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