A diabatization protocol that includes spin-orbit coupling.

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A diabatization protocol that includes spin-orbit coupling.

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2017 nî lūn-bûn

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2017年の論文

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2017年学术文章

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2017年学术文章

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2017年学术文章

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A diabatization protocol that includes spin-orbit coupling.

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A diabatization protocol that includes spin-orbit coupling.

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A diabatization protocol that includes spin-orbit coupling.

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A diabatization protocol that includes spin-orbit coupling.

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A diabatization protocol that includes spin-orbit coupling.

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A diabatization protocol that includes spin-orbit coupling.

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P1476

A diabatization protocol that includes spin-orbit coupling

@en

P2093

Tao Zeng

http://www.w3.org/2001/XMLSchema#string

P2860

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Density-functional thermochemistry. III. The role of exact exchange

An Algorithm for Least-Squares Estimation of Nonlinear Parameters

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

Relativistic Jahn-Teller effects in the photoelectron spectra of tetrahedral P4, As4, Sb4, and Bi4.

Extended multi-configuration quasi-degenerate perturbation theory: the new approach to multi-state multi-reference perturbation theory.

Block-diagonalization as a tool for the robust diabatization of high-dimensional potential energy surfaces.

Development of multi-mode diabatic spin-orbit models at arbitrary order.

A new approach for the development of diabatic potential energy surfaces: Hybrid block-diagonalization and diabatization by ansatz.

Toward spin-orbit coupled diabatic potential energy surfaces for methyl iodide using effective relativistic coupling by asymptotic representation.

P304

144103

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P31

scholarly article

P356

10.1063/1.4979902

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P407

English

P433

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P478

146

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P50

Tao Zeng

P577

2017-04-01T00:00:00Z

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P698

28411597

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