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- 密度泛函（DFT）density functional theory (DFT)
- 密度泛函理論（DFT）density functional theory (DFT)
- 密度泛函理論（DFT）計算Density functional theory(DFT)calculation
- 對含重元素體系的接合二分量-標量相對論密度泛函計算方法A Scheme for Jointed Two Component-scalar Relativistic Density Functional Calculations of Systems Containing Heavy Elements
- 近似相對論與非相對論密度泛函理論高精度計算方法和程序High Accurate Computational Method and Program for Approximate Relativistic and Non-relativistic Density Functional Calculations
- 甘氨酸在正、負電性納米銀上的吸附及振動(dòng)譜的密度泛函計算Possible Adsorption of Glycine on the Surface of Negative and Positive Silver and Research by DFT
- 密度泛函DFTDFT
- 密度泛涵理論（DFT）density functional theory(DFT)
- 密度泛函方法density functional method
- 含時(shí)密度泛函理論（TD-DFT）TD-DFT
- 泛函密度理論DFT
- 氯化亞銅在活性炭載體表面單層分散的密度泛函理論計算Density Functional Theory Calculations of Cuprous Chloride Monolayer Supported on Activated Carbon
- 含時(shí)密度泛函TD-DFT
- 格點(diǎn)密度泛函lattice density function
- 密度泛函計算Density functinal theory
- 密度泛函理論方法研究稀土-過(guò)渡金屬化合物的磁性和自旋密度圖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
- 電子密度泛函理論density functional theory
