(Q59613811)

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Optical rotation studied by density-functional and coupled-cluster methods

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Optical rotation studied by density-functional and coupled-cluster methods (English)

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Trygve Helgaker

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Kenneth Ruud

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Kenneth Ruud

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1

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publication date

February 2002

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published in

Chemical Physics Letters

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volume

352

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issue

5-6

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page(s)

533-539

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Vibrational Raman optical activity calculations using London atomic orbitals

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7 January 2021

Prediction of optical rotation using density functional theory: 6,8-dioxabicyclo[3.2.1]octanes

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Zero-point vibrational effects on optical rotation

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7 January 2021

Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields

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Integral-direct coupled cluster calculations of frequency-dependent polarizabilities, transition probabilities and excited-state properties

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Nuclear shielding constants by density functional theory with gauge including atomic orbitals

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Linear and nonlinear response functions for an exact state and for an MCSCF state

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Note on Exchange Phenomena in the Thomas Atom

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Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

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Density-functional exchange-energy approximation with correct asymptotic behavior

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

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

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10.1016/S0009-2614(01)01492-0

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(Q59613811)

Optical rotation studied by density-functional and coupled-cluster methods

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