Hartree-Fock method HF计算方法
deformed hartree-fock method 形变hf方法
constrained hartree-fock method 约束哈特里
multiconfiguration Dirac-Fock method 克理论
multiconfiguration Dirac Fock method 多组态DiracFock方法
coupled-perturbed Hatree-Fock method 共轭微扰Hartree
multi-configuration Dirac-Fock method 多组态Dirac
multi configuration dirac fock method 多组态diracfock方法
Hartree-Fock SCF method 自洽场分子轨道方法
The coupled perturbed Hartree-Fock method is used to calculate.
采用耦合微扰方法进行了计算。
The first hyperpolarizability is studied at HF/6-31G level by coupled perturbed Hartree-Fock (CPHF) method.
采用耦合微扰（CPHF）方法在 HF/6-31G 水平上对巴比妥酸衍生物的第一超极化率进行了计算。
The first hyperpolarizability and molecular frontier orbit properties of barbituric acid derivatives are studied at HF/6-31G level by coupled perturbed Hartree-Fock(CPHF) method.
采用耦合微扰（CPHF）方法在HF/6-31G水平上对巴比妥酸衍生物的第一超极化率和分子前线轨道性质进行了计算。
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