Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer (vol 11, pg 3643, 2015)

Ghosh Soumen; Sonnenberger Andrew L.; Moyer Chad E.; Truhlar Donald G.; Gagliardi Laura

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Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer (vol 11, pg 3643, 2015)

机译：用于基态和激发态电荷转移的多配置对密度泛函理论的性能优于Kohn-Sham密度泛函理论和多参考微扰理论（vol 11，pg 3643，2015）

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《Journal of chemical theory and computation: JCTC》 |2016年第1期|共1页
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Ghosh Soumen; Sonnenberger Andrew L.; Moyer Chad E.; Truhlar Donald G.; Gagliardi Laura;
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中图分类化学键的量子力学理论;化学;
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1. Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer (vol 11, pg 3643, 2015) [J] . Ghosh Soumen, Sonnenberger Andrew L., Moyer Chad E., Journal of chemical theory and computation: JCTC . 2016,第1期

机译：用于基态和激发态电荷转移的多配置对密度泛函理论的性能优于Kohn-Sham密度泛函理论和多参考微扰理论（vol 11，pg 3643，2015）
2. Multiconfiguration Pair-Density Functional Theory: A Fully Translated Gradient Approximation and Its Performance for Transition Metal Dimers and the Spectroscopy of Re2CI82- (vol 11, pg 4077, 2015) [J] . Carlson Rebecca K., Truhlar Donald G., Gagliardi Laura Journal of chemical theory and computation: JCTC . 2016,第1期

机译：多配置对密度泛函理论：过渡金属二聚体的完全平移梯度逼近及其性能以及Re2CI82-的光谱学（vol 11，pg 4077，2015）
3. Multiconfiguration Pair-Density Functional Theory: Barrier Heights and Main Group and Transition Metal Energetics (vol 11, pg 82, 2015) [J] . Carlson Rebecca K., Manni Giovanni Li, Sonnenberger Andrew L., Journal of chemical theory and computation: JCTC . 2016,第1期

机译：多配置对密度泛函理论：势垒高度和主族与过渡金属能量学（第11卷，第82页，2015）
4. KOHN-SHAM CALCULATIONS COMBINED WITH AN AVERAGEPAIR-DENSITY FUNCTIONAL THEORY [C] . P. GORI-GIORGI, A. SAVIN International Workshop on Condensed Matter Theories . 2007

机译：Kohn-Sham计算结合平均Pairs密度功能理论
5. Developing a Model Chemistry for Multiconfiguration Pair-Density Functional Theory to Study Photochemistry and Molecular Interactions [D] . Bao, Jie. 2021

机译：开发多重配置对密度函数理论的模型化学研究光化学和分子相互作用
6. Charge Transfer Enhancement in the D-π-A Type Porphyrin Dyes: A Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TD-DFT) Study [O] . Guo-Jun Kang, Chao Song, Xue-Feng Ren 2016

机译：D-π-A型卟啉染料中电荷转移的增强：密度泛函理论（DFT）和时变密度泛函理论（TD-DFT）的研究
7. Global Hybrid Multiconfiguration Pair-Density Functional Theory [O] . Mohammad Mostafanejad, Marcus Dante Liebenthal, A. Eugene DePrince 2020

机译：全局混合多重配置对密度泛函理论

Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer (vol 11, pg 3643, 2015)

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