A new efficient method for the calculation of interior eigenpairs and its application to vibrational structure problems
出版年份 2017 全文链接
标题
A new efficient method for the calculation of interior eigenpairs and its application to vibrational structure problems
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 146, Issue 12, Pages 124101
出版商
AIP Publishing
发表日期
2017-03-22
DOI
10.1063/1.4978581
参考文献
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- (2016) Filipp Furche et al. JOURNAL OF CHEMICAL PHYSICS
- Efficient generation of sum-of-products representations of high-dimensional potential energy surfaces based on multimode expansions
- (2016) Benjamin Ziegler et al. JOURNAL OF CHEMICAL PHYSICS
- “Balancing” the Block Davidson–Liu Algorithm
- (2016) Robert M. Parrish et al. Journal of Chemical Theory and Computation
- 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
- (2015) Ian H. Godtliebsen et al. JOURNAL OF CHEMICAL PHYSICS
- Time-independent eigenstate-free calculation of vibronic spectra beyond the harmonic approximation
- (2015) Taras Petrenko et al. JOURNAL OF CHEMICAL PHYSICS
- Vibrational absorption spectra from vibrational coupled cluster damped linear response functions calculated using an asymmetric Lanczos algorithm
- (2012) Bo Thomsen et al. JOURNAL OF CHEMICAL PHYSICS
- Vibrational absorption spectra calculated from vibrational configuration interaction response theory using the Lanczos method
- (2010) Peter Seidler et al. JOURNAL OF CHEMICAL PHYSICS
- Toward large scale vibrational configuration interaction calculations
- (2009) Michael Neff et al. JOURNAL OF CHEMICAL PHYSICS
- Erratum: “Toward large scale vibrational configuration interaction calculations” [J. Chem. Phys. 131, 124129 (2009)]
- (2009) Michael Neff et al. JOURNAL OF CHEMICAL PHYSICS
- Solving the eigenvalue equations of correlated vibrational structure methods: Preconditioning and targeting strategies
- (2009) W. Győrffy et al. JOURNAL OF CHEMICAL PHYSICS
- On the variational computation of a large number of vibrational energy levels and wave functions for medium-sized molecules
- (2009) Edit Mátyus et al. JOURNAL OF CHEMICAL PHYSICS
- Systematically convergent basis sets for explicitly correlated wavefunctions: The atoms H, He, B–Ne, and Al–Ar
- (2008) Kirk A. Peterson et al. JOURNAL OF CHEMICAL PHYSICS
- Explicitly correlated RMP2 for high-spin open-shell reference states
- (2008) Gerald Knizia et al. JOURNAL OF CHEMICAL PHYSICS
- Computation of Large Invariant Subspaces Using Polynomial Filtered Lanczos Iterations with Applications in Density Functional Theory
- (2008) C. Bekas et al. SIAM JOURNAL ON MATRIX ANALYSIS AND APPLICATIONS
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