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- W2370385236 abstract "The external electric field strength dependent dipole moment, polarizability, first and second hyperpolarizabilities of urea molecule have been studied by ab initio/finite field(FF) method at 4-31G+ 2p2d level. The stable results of above properties require a particular range of the field strength from 0 001 to 0 004 a.u.. The present results in this range are in good agreement with those obtained by couple perturbed Hartree Fork (CPHF)method at the same level. The electron correlation calculations(MP2) have also been carried out and proved to be available." @default.
- W2370385236 created "2016-06-24" @default.
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- W2370385236 date "1999-01-01" @default.
- W2370385236 modified "2023-09-25" @default.
- W2370385236 title "An ab initio/finite field study of the nonlinear optical susceptibilities of urea" @default.
- W2370385236 hasPublicationYear "1999" @default.
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