Spin-flip, tensor equation-of-motion configuration interaction with a density-functional correction: A spin-complete method for exploring excited-state potential energy surfaces.

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Effect of the diradical character on static polarizabilities and two-photon absorption cross sections: A closer look with spin-flip equation-of-motion coupled-cluster singles and doubles method.A general spin-complete spin-flip configuration interaction method.

P2860

Q45962066-4DDE6921-615A-4A62-8E95-1E8BA2593144 Q50107721-D7139FBE-26D8-489B-8C0B-69F40BED4166

P2860

Spin-flip, tensor equation-of-motion configuration interaction with a density-functional correction: A spin-complete method for exploring excited-state potential energy surfaces.

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http://www.wikidata.org/entity/Q48706216

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2015 nî lūn-bûn

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2015年の論文

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2015年学术文章

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2015年学术文章

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Spin-flip, tensor equation-of- ...... ate potential energy surfaces.

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Spin-flip, tensor equation-of- ...... ate potential energy surfaces.

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type

Item

label

Spin-flip, tensor equation-of- ...... ate potential energy surfaces.

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Spin-flip, tensor equation-of- ...... ate potential energy surfaces.

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Spin-flip, tensor equation-of- ...... ate potential energy surfaces.

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Spin-flip, tensor equation-of- ...... ate potential energy surfaces.

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P1476

Spin-flip, tensor equation-of- ...... ate potential energy surfaces.

@en

P2093

Xing Zhang

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

P2860

Spin-adapted open-shell time-dependent density functional theory. III. An even better and simpler formulation.

Nonempirically Tuned Range-Separated DFT Accurately Predicts Both Fundamental and Excitation Gaps in DNA and RNA Nucleobases.

Automated Search for Minimum Energy Conical Intersection Geometries between the Lowest Two Singlet States S0/S1-MECIs by the Spin-Flip TDDFT Method.

Combined Self-Consistent-Field and Spin-Flip Tamm-Dancoff Density Functional Approach to Potential Energy Surfaces for Photochemistry.

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.

The Theoretical Estimation of the Bioluminescent Efficiency of the Firefly via a Nonadiabatic Molecular Dynamics Simulation.

On the electronically excited states of uracil.

General formulation of spin-flip time-dependent density functional theory using non-collinear kernels: theory, implementation, and benchmarks.

Optimizing conical intersections without derivative coupling vectors: application to multistate multireference second-order perturbation theory (MS-CASPT2).

P304

234107

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scholarly article

P356

10.1063/1.4937571

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P407

English

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

P478

143

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P50

John M Herbert

P577

2015-12-01T00:00:00Z

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P698

26696046

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Spin-flip, tensor equation-of-motion configuration interaction with a density-functional correction: A spin-complete method for exploring excited-state potential energy surfaces.

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P2860

P2860

Spin-flip, tensor equation-of-motion configuration interaction with a density-functional correction: A spin-complete method for exploring excited-state potential energy surfaces.

description

name

type

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P1433

P1476

P2093

P2860

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P356

P407

P433

P478

P50

P577

P698

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P1433

P1476

P2093

P2860

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P31

P356

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P433

P478

P50

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P698