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- 密度泛函（DFT）density functional theory (DFT)
- 密度泛函理论（DFT）density functional theory (DFT)
- 密度泛函理论（DFT）计算Density functional theory(DFT)calculation
- 对含重元素体系的接合二分量-标量相对论密度泛函计算方法A Scheme for Jointed Two Component-scalar Relativistic Density Functional Calculations of Systems Containing Heavy Elements
- 近似相对论与非相对论密度泛函理论高精度计算方法和程序High Accurate Computational Method and Program for Approximate Relativistic and Non-relativistic Density Functional Calculations
- 甘氨酸在正、负电性纳米银上的吸附及振动谱的密度泛函计算Possible Adsorption of Glycine on the Surface of Negative and Positive Silver and Research by DFT
- 密度泛函DFTDFT
- 密度泛涵理论（DFT）density functional theory(DFT)
- 密度泛函方法density functional method
- 含时密度泛函理论（TD-DFT）TD-DFT
- 泛函密度理论DFT
- 氯化亚铜在活性炭载体表面单层分散的密度泛函理论计算Density Functional Theory Calculations of Cuprous Chloride Monolayer Supported on Activated Carbon
- 含时密度泛函TD-DFT
- 格点密度泛函lattice density function
- 密度泛函计算Density functinal theory
- 密度泛函理论方法研究稀土-过渡金属化合物的磁性和自旋密度图Magnetic Properties and Spin Density Maps for Rare Earth-Transition Metal Complexes: A Density Functional Study
- 四分量密度泛函density
- 密度泛函（DKT）Density functional theory (DFT)
- 非局部密度泛函Nonloeal DFT
- 电子密度泛函理论density functional theory
