Teaching theoretical physical chemistry: Density functional theory and the Taylor expansion of the van der Waals free energy

Moore BG.; Mize JD.

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Teaching theoretical physical chemistry: Density functional theory and the Taylor expansion of the van der Waals free energy

机译：教学理论物理化学：密度函数理论与梵德威尔士自由能源的泰勒膨胀

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来源
《Journal of Chemical Education 》 |1998年第7期| 共1页
作者
Moore BG.; Mize JD.;
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Penn State Univ Behrend Coll Sch Sci Erie PA 16563 USA .;

.cbiba-u.ac.jp;

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正文语种 eng
中图分类化学 ;
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1. Teaching theoretical physical chemistry: Density functional theory and the Taylor expansion of the van der Waals free energy [J] . Moore BG., Mize JD. Journal of Chemical Education . 1998 ,第7期

机译：教学理论物理化学：密度函数理论与梵德威尔士自由能源的泰勒膨胀
2. Erratum: Publisher's Note: "Van der Waals interactions for isolated systems calculated using density functional theory within Plasmon-Pole Approximation" (Journal of the Physical Society of Japan (2010) 79 (074701)) [J] . Ono Y., Kusakabe K., Nakayama T. Journal of the Physical Society of Japan . 2010 ,第9期

机译：勘误：出版者注：“在等离子极点近似中使用密度泛函理论计算的孤立系统的范德华相互作用”（日本物理学会杂志（2010）79（074701））
3. Equations of state for energetic materials from density functional theory with van der Waals, thermal, and zero-point energy corrections [J] . A. C. Landerville, M. W. Conroy, M. M. Budzevich, Applied Physics Letters . 2010 ,第25期

机译：含能材料的状态方程，来自具有范德华力，热和零点能量校正的密度泛函理论
4. 12 Possible Orientations of organic Formamidinium cation and its structural analysis by First Principles calculations using Van der Waals-Density functional Theory [C] . S. Karthick, J. J. Ríos-Ramírez, S. Velumani International Conference on Electrical Engineering, Computing Science and Automatic Control . 2018

机译：使用范德华力-密度泛函理论通过第一原理计算有机甲functional阳离子的12种可能取向及其结构分析
5. van der Waals Corrected Density Functional Theory Calculations on Zeolitic Imidazolate Frameworks. [D] . Ray, Keith George. 2013

机译：van der Waals对沸石咪唑盐骨架的密度泛函理论校正。
6. Inaugural Article: Accurate van der Waals coefficients from density functional theory [O] . Jianmin Tao, John P. Perdew, Adrienn Ruzsinszky 2012

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7. Van der Waals Energies in Density Functional Theory [O] . Kohn, Walter, Meir, Yigal, Makarov, Dmitrii E. 1997

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Teaching theoretical physical chemistry: Density functional theory and the Taylor expansion of the van der Waals free energy

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