Analytic gradients for the combined sr-DFT/lr-MP2 method: Application to weakly bound systems. Mol. Phys., (108)24:3373–3382, 2010. [PUMA: chemie gradients,non-bonded werner from:alexanderdenzel separation theoretische stuttgart DFT/MP2,analytical theochem complexes,short-range/long-range] URL
Comparison of explicitly correlated local coupled-cluster methods with various choices of virtual orbitals. Phys. Chem. Chem. Phys., (14)21:7591–7604, 2012. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
The rotational relaxation of NH(c 1Π) in collisions with Ar: A combined theoretical and experimental investigation. J. Chem. Phys., (102)10:4069–4083, 1995. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
Local explicitly correlated second-order perturbation theory for the accurate treatment of large molecules. J. Chem. Phys., (130)52009. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
The orbital-specific virtual local triples correction: OSV-L(T). J. Chem. Phys., (138)5:054109, February 2013. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
Correlation regions within a localized molecular orbital approach. J. Chem. Phys., (128)142008. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
Coupling of short-range density-functional with long-range post-hartree-fock methods. Zeitschrift fur Phys. Chemie, (224)3-4:481–491, 2010. [PUMA: chemie Long-range werner post-hartree-fock,Short-range from:alexanderdenzel density-Functional theoretische stuttgart theochem] URL
Ab initio calculations of radiative transition probabilities in the X1σ+state of SiO and the X2σ+and A2Π states of SiO⁺. Chem. Phys., (73)1-2:169–178, 1982. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
On the structure and stability of the H₂O- ion. J. Chem. Phys., (87)5:2913–2918, 1987. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
Accurate calculations of intermolecular interaction energies using explicitly correlated coupled cluster wave functions and a dispersion-weighted MP2 method. J. Phys. Chem. A, (113)43:11580–11585, 2009. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
Ab initio study of the energetics of the spin-allowed and spin-forbidden decomposition of HN3. J. Chem. Phys., (93)5:3307–3318, 1990. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
Local treatment of electron correlation in coupled cluster theory. J. Chem. Phys., (104)16:6286–6297, April 1996. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
Adiabatic and diabetic potential energy surfaces for collisions of CN (X 2Σ⁺, A 2Π) with He. J. Chem. Phys., (89)5:3139–3151, 1988. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
Third-order multireference perturbation theory The CASPT3 method. Mol. Phys., (89)2:645–661, October 1996. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
Potential energy and dipole moment functions of the HCS radical. Chem. Phys., (147)2-3:281–292, November 1990. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
PNO-CI and PNO-CEPA studies of electron correlation effects. Mol. Phys., (31)3:855–872, 1976. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
PNO-CEPA and MCSCF-SCEP calculations of transition probabilities in OH, HF⁺, and HCl⁺. J. Chem. Phys., (80)2:831–839, January 1984. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
On the rotational angular momentum polarization in N⁺₂-He. Classical trajectory and hard-ellipsoid model calculations. J. Chem. Phys., (95)2:979–985, 1991. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
Einstein transition-probability coefficients in the electronic ground states of the diatomic hydrides. J. Mol. Struct., (60)C:405–408, 1980. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL
Reaction path following by quadratic steepest descent. Theor. Chem. Acc., (100)1-4:21–30, 1998. [PUMA: Ab steepest reaction werner coordinate,Quadratic theoretische stuttgart chemie path energy from:alexanderdenzel following descent,Reaction initio potential theochem surface,Intrinsic] URL