注意,在物理学里面,势可以加上或者减去一个常数。
Remember, in physics, the potential is defined up to adding or subtracting a constant.
利用化学势的概念,导出气相、液相和复相化学反应体系的热力学平衡常数表示式。
Thermodynamic equilibrium constants of chemical reactions which involve gaseous phases condensed phases and complex phases are strictly deduced in terms of chemical potential.
对于平衡晶格常数、体模量、结合能和能带结构的计算结果与从头算赝势方法较接近;
The calculation results for the lattice constant, bulk modulus, cohesive and electronic band structure agree with that results of ah initio pseudpotential method.
计算结果表明,在第一性原理计算方法中,赝势的选用和基函数的确定对计算结果起很大影响,不同的基函数对应不同的硅单晶的晶格常数。
The results show that in ab initio method the choice of pseudopotential has great influence, and different basis function leads to different lattice constant in si material.
数值计算结果表明,杂质结合能不仅依赖于电子有效质量和材料的静态介电常数,而且对没有外加势场时量子阱中电子几率密度的空间分布也很敏感。
The numerical results show that the binding energy depends on not only the effective mass and dielectric constant but also the spatial distribution of the electron probability density.
同时又利用最新的平衡振动常数计算了o_2~+的上下态rkr势,用rkr势的结果计算了四重态跃迁的不同振动带的frank-condon因子。
Furthermore the rkr potential curves of both the a and b quartet states of o_2~+ were derived based on the latest equilibrium constants and franck-condon factors were listed in this thesis as well.
物质的聚集状态不同,因而定义的标准状态不同,故在标准状态时的化学势各异,标准平衡常数与标准态化学势有关,与经验平衡常数有别。
As substances are in different aggregated states, there are different definitions of standard states, and different chemical potentials in standard states.
物质的聚集状态不同,因而定义的标准状态不同,故在标准状态时的化学势各异,标准平衡常数与标准态化学势有关,与经验平衡常数有别。
As substances are in different aggregated states, there are different definitions of standard states, and different chemical potentials in standard states.
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