A general spin-complete spin-flip configuration interaction method.

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A general spin-complete spin-flip configuration interaction method.

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2018 nî lūn-bûn

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2018年学术文章

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A general spin-complete spin-flip configuration interaction method.

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A general spin-complete spin-flip configuration interaction method.

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A general spin-complete spin-flip configuration interaction method.

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A general spin-complete spin-flip configuration interaction method.

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A general spin-complete spin-flip configuration interaction method.

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A general spin-complete spin-flip configuration interaction method.

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P1476

A general spin-complete spin-flip configuration interaction method.

@en

P2093

Mark S Gordon

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P2860

The electronic spectrum of Si3 I: triplet D(3h) system.

The construction and interpretation of MCSCF wavefunctions.

Multiconfiguration self-consistent field and multireference configuration interaction methods and applications.

Projected Hartree-Fock theory.

Theoretical and numerical assessments of spin-flip time-dependent density functional theory.

Assessment of noncollinear spin-flip Tamm-Dancoff approximation time-dependent density-functional theory for the photochemical ring-opening of oxirane.

Dynamics simulations with spin-flip time-dependent density functional theory: photoisomerization and photocyclization mechanisms of cis-stilbene in ππ* states.

Equation-of-motion spin-flip coupled-cluster model with single and double substitutions: Theory and application to cyclobutadiene.

Restricted active space spin-flip (RAS-SF) with arbitrary number of spin-flips.

P304

2615-2626

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P31

scholarly article

P356

10.1039/C7CP06837A

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P407

English

P433

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

P478

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

P50

Joani Mato

P577

2018-01-10T00:00:00Z

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P698

29319079

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