Different equation-of-motion coupled cluster methods with different reference functions: the formyl radical.

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The H + CO ⇌ HCO reaction studied by ab initio benchmark calculations.Excited and ionized states of the ozone molecule with full triples coupled cluster methods.Improving upon the accuracy for doubly excited states within the coupled cluster singles and doubles theory.

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Different equation-of-motion coupled cluster methods with different reference functions: the formyl radical.

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http://www.wikidata.org/entity/Q42604776

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2008 nî lūn-bûn

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2008年の論文

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2008年論文

@yue

2008年論文

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2008年論文

@zh-hk

2008年論文

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2008年論文

@zh-tw

2008年论文

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2008年论文

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2008年论文

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name

Different equation-of-motion c ...... functions: the formyl radical.

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Different equation-of-motion c ...... functions: the formyl radical.

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type

Item

label

Different equation-of-motion c ...... functions: the formyl radical.

@en

Different equation-of-motion c ...... functions: the formyl radical.

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Different equation-of-motion c ...... functions: the formyl radical.

@en

Different equation-of-motion c ...... functions: the formyl radical.

@nl

P1476

Different equation-of-motion c ...... functions: the formyl radical.

@en

P2093

Rodney J Bartlett

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

Tomasz Kuś

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P2860

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

Coupled-cluster theory in quantum chemistry

Energies and analytic gradients for a coupled-cluster doubles model using variational Brueckner orbitals: Application to symmetry breaking in O4+

Equation-of-motion coupled-cluster methods for open-shell and electronically excited species: the Hitchhiker's guide to Fock space.

On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell‐Type Expansion Using Quantum‐Field Theoretical Methods

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

Triradicals.

Analytic gradients for the spin-conserving and spin-flipping equation-of-motion coupled-cluster models with single and double substitutions.

Spin-conserving and spin-flipping equation-of-motion coupled-cluster method with triple excitations.

Beyond vinyl: electronic structure of unsaturated propen-1-yl, propen-2-yl, 1-buten-2-yl, and trans-2-buten-2-yl hydrocarbon radicals.

P304

104301

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scholarly article

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10.1063/1.2975205

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English

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

P478

129

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P577

2008-09-01T00:00:00Z

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P698

19044907

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Different equation-of-motion coupled cluster methods with different reference functions: the formyl radical.

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P2860

P2860

Different equation-of-motion coupled cluster methods with different reference functions: the formyl radical.

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P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P577

P698

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P577

P698