Related references
Note: Only part of the references are listed.Vibrational multiconfiguration self-consistent field theory: Implementation and test calculations
Sandra Heislbetz et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Toward large scale vibrational configuration interaction calculations
Michael Neff et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
The impact of approximate VSCF schemes and curvilinear coordinates on the anharmonic vibrational frequencies of formamide and thioformamide
M. Bounouar et al.
CHEMICAL PHYSICS (2008)
Iterative active-space selection for vibrational configuration interaction calculations using a reduced-coupling VSCF basis
Yohann Scribano et al.
CHEMICAL PHYSICS LETTERS (2008)
Vibrational spectra for P4O6 and P4O10 systems:: Theoretical study from DFT quartic potential and mixed perturbation-variation method
P. Carbonniere et al.
CHEMICAL PHYSICS LETTERS (2008)
Configuration selection as a route towards efficient vibrational configuration interaction calculations
Guntram Rauhut
JOURNAL OF CHEMICAL PHYSICS (2007)
A comparison of two methods for selecting vibrational configuration interaction spaces on a heptatomic system:: Ethylene oxide
Didier Begue et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Acceleration of correlation-corrected vibrational self-consistent field calculation times for large polyatomic molecules
Liat Pele et al.
THEORETICAL CHEMISTRY ACCOUNTS (2007)
Multi-level vibrational SCF calculations and FTIR measurements on furazan
K Pflüger et al.
THEORETICAL CHEMISTRY ACCOUNTS (2005)
Anharmonic vibrational properties by a fully automated second-order perturbative approach
V Barone
JOURNAL OF CHEMICAL PHYSICS (2005)
Vibrational zero-point energies and thermodynamic functions beyond the harmonic approximation
V Barone
JOURNAL OF CHEMICAL PHYSICS (2004)
Vibrational coupled cluster theory
O Christiansen
JOURNAL OF CHEMICAL PHYSICS (2004)
A new vibrational spectroscopic tool for the determination of peptide conformation:: The isotope-edited CαHα stretch mode
NG Mirkin et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2004)
Efficient calculation of potential energy surfaces for the generation of vibrational wave functions
G Rauhut
JOURNAL OF CHEMICAL PHYSICS (2004)
Peptide structure determination by two-dimensional infrared spectroscopy in the presence of homogeneous and inhomogeneous broadening
J Bredenbeck et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Structure determination of trialanine in water using polarization sensitive two-dimensional vibrational spectroscopy
S Woutersen et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2000)
Anharmonic vibrational spectroscopy of glycine: Testing of ab initio and empirical potentials
GM Chaban et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2000)