Vibrational absorption spectra calculated from vibrational configuration interaction response theory using the Lanczos method.

Vibrational absorption spectra calculated from vibrational configuration interaction response theory using the Lanczos method.

Item
http://www.wikidata.org/entity/Q43074787
Automatic determination of important mode-mode correlations in many-mode vibrational wave functions.A Lanczos-chain driven approach for calculating damped vibrational configuration interaction response functions.A band Lanczos approach for calculation of vibrational coupled cluster response functions: simultaneous calculation of IR and Raman anharmonic spectra for the complex of pyridine and a silver cation.A new efficient method for the calculation of interior eigenpairs and its application to vibrational structure problems.Calculating vibrational spectra without determining excited eigenstates: Solving the complex linear equations of damped response theory for vibrational configuration interaction and vibrational coupled cluster states.Time-independent eigenstate-free calculation of vibronic spectra beyond the harmonic approximation.Tensor decomposition techniques in the solution of vibrational coupled cluster response theory eigenvalue equations.Approximate inclusion of four-mode couplings in vibrational coupled-cluster theory.Vibrational absorption spectra from vibrational coupled cluster damped linear response functions calculated using an asymmetric Lanczos algorithm.Spectroscopic signatures of topological and diatom-vacancy defects in single-walled carbon nanotubes.Selected new developments in vibrational structure theory: potential construction and vibrational wave function calculations.
P2860

Vibrational absorption spectra calculated from vibrational configuration interaction response theory using the Lanczos method.

Item
http://www.wikidata.org/entity/Q43074787
description
2010 nî lūn-bûn
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2010年の論文
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2010年学术文章
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2010年学术文章
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2010年学术文章
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2010年学术文章
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2010年学术文章
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name
Vibrational absorption spectra ...... eory using the Lanczos method.
@en
Vibrational absorption spectra ...... eory using the Lanczos method.
@nl
type
label
Vibrational absorption spectra ...... eory using the Lanczos method.
@en
Vibrational absorption spectra ...... eory using the Lanczos method.
@nl
prefLabel
Vibrational absorption spectra ...... eory using the Lanczos method.
@en
Vibrational absorption spectra ...... eory using the Lanczos method.
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P698
P356
P1433
P1476
Vibrational absorption spectra ...... heory using the Lanczos method
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P698