(Q45733846)

15 December 2017

title

Can density functional theory describe the NO(X2Π)-Ar and NO(A2Σ+)-Ar van der Waals complexes? (English)

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density functional theory

15 December 2017

main subject

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2

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15 December 2017

Olga V Ershova

1

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15 December 2017

language of work or name

English

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publication date

1 June 2012

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Journal of Chemical Physics

15 December 2017

published in

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15 December 2017

volume

136

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15 December 2017

issue

24

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15 December 2017

page(s)

244313

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Semiempirical GGA-type density functional constructed with a long-range dispersion correction.

15 December 2017

cites work

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A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

21 January 2018

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Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections

21 January 2018

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Long-range corrected double-hybrid density functionals.

21 January 2018

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Interaction of NO(A2Sigma+) with rare gas atoms: potential energy surfaces and spectroscopy.

21 January 2018

1 reference

Stratospheric ozone depletion

21 January 2018

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Bioimaging of nitric oxide

21 January 2018

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Electronic spectroscopy of the 3d Rydberg states of NO-Rg (Rg=Ne,Ar,Kr,Xe) van der Waals complexes.

21 January 2018

1 reference

Intermolecular potential energy surface of Ar-NO.

21 January 2018

1 reference

The Wave Mechanics of an Atom with a Non-Coulomb Central Field. Part I. Theory and Methods

21 January 2018

1 reference

Accurate and simple analytic representation of the electron-gas correlation energy

21 January 2018

1 reference

Generalized Gradient Approximation Made Simple

21 January 2018

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Systematic optimization of long-range corrected hybrid density functionals

21 January 2018

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A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples

21 January 2018

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A fifth-order perturbation comparison of electron correlation theories

21 January 2018

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Note on an Approximation Treatment for Many-Electron Systems

21 January 2018

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Self-consistent field calculations of excited states using the maximum overlap method (MOM).

21 January 2018

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Single-reference ab initio methods for the calculation of excited states of large molecules

21 January 2018

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The equation of motion coupled‐cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties

21 January 2018

1 reference

Advances in methods and algorithms in a modern quantum chemistry program package.

21 January 2018

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Values of the nodes and weights of ninth to seventeenth order gauss-markov quadrature formulae invariant under the octahedron group with inversion

21 January 2018

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21 January 2018

Quadratures on a sphere

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

21 January 2018

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The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

21 January 2018

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Potential energy surfaces and Jahn-Teller effect on CH4⋯NO complexes

21 January 2018

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21 January 2018

Identifiers

DOI

10.1063/1.4730302

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15 December 2017

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