Theoretical A 1 A ‘ 2 – X¹ A 1 absorption and emission spectrum of ammonia. J. Chem. Phys., (86)12:6677–6692, 1987. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
Multireference—configuration interaction (MRCI) calculations of ClO₂⁺ and experimental observation via electron impact ionization of H₂S. Int. J. Mass Spectrom. Ion Process., (100):505–519, 1990. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
A full-CI study of the energetics of the reaction F + H₂ → HF⁺H. Chem. Phys. Lett., (185)5-6:555–561, 1991. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
The CIPT2 method: Coupling of multi-reference configuration interaction and multi-reference perturbation theory. Application to the chromium dimer. Mol. Phys., (102)21-22:2369–2379, November 2004. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
Calculation of smooth potential energy surfaces using local electron correlation methods. J. Chem. Phys., (125)182006. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
A new internally contracted multi-reference configuration interaction method. J. Chem. Phys., (135)52011. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
Ab initio and scaled potential energy surfaces for Ar-C₂H₂: Comparison with scattering and spectroscopic experiments. J. Chem. Phys., (105)23:10462–10471, 1996. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
Rotationally inelastic and bound state dynamics of h2-oh(X2it). Mol. Phys., (83)3:405–428, 1994. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
The first dipole-allowed electronic transition 11Σ⁺u-X1Σ⁺gof CO₂. Chem. Phys. Lett., (216)1-2:162–166, 1993. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
Theoretical investigation of collision induced rotational alignment in N⁺₂-He. J. Chem. Phys., (93)7:4687–4698, 1990. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
Unlinked cluster and relativistic contributions to the bonding in Cu₂. Chem. Phys. Lett., (113)5:451–456, 1985. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
A comparison of the efficiency and accuracy of the quadratic configuration interaction (QCISD), coupled cluster (CCSD), and Brueckner coupled cluster (BCCD) methods. Chem. Phys. Lett., (190)1-2:1–12, 1992. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
Application of Gaussian-type geminals in local second-order Møller-Plesset perturbation theory. J. Chem. Phys., (124)232006. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
Explicitly correlated RMP2 for high-spin open-shell reference states. J. Chem. Phys., (128)15:154103, April 2008. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
The ethylene radical cation: Twisted or planar?. Chem. Phys. Lett., (110)5:459–463, October 1984. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
Theoretical dipole moment functions of the HF, HCl, and HBr molecules. J. Chem. Phys., (73)5:2319–2328, September 1980. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
Electron transfer and spin exchange contributing to the magnetic field dependence of the primary photochemical reaction of bacterial photosynthesis. BBA - Bioenerg., (502)2:255–268, May 1978. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
Local Treatment of Electron Correlation in Molecular Clusters: Structures and Stabilities of (H₂ O) n , n = 2−4. J. Phys. Chem. A, (102)29:5997–6003, 2002. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
Scalable Electron Correlation Methods. 3. Efficient and Accurate Parallel Local Coupled Cluster with Pair Natural Orbitals (PNO-LCCSD). J. Chem. Theory Comput., (13)8:3650–3675, 2017. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
The 3Πg ← 3Σu⁺ transition in nitrogen (N₂²⁺). J. Phys. Chem., (95)6:2125–2127, 2005. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL