42 results on '"Schütz, Martin"'
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2. A hierarchy of local coupled cluster singles and doubles response methods for ionization potentials
3. Oscillator strengths, first-order properties, and nuclear gradients for local ADC(2)
4. Magnetizability and rotational g tensors for density fitted local second-order Møller-Plesset perturbation theory using gauge-including atomic orbitals
5. Efficient and accurate treatment of weak pairs in local CCSD(T) calculations. II. Beyond the ring approximation
6. Local CC2 response method based on the Laplace transform: Analytic energy gradients for ground and excited states
7. Efficient and accurate treatment of weak pairs in local CCSD(T) calculations
8. Local CC2 response method based on the Laplace transform: Orbital-relaxed first-order properties for excited states
9. The orbital-specific virtual local triples correction: OSV-L(T)
10. Local ab initio methods for calculating optical bandgaps in periodic systems. II. Periodic density fitted local configuration interaction singles method for solids
11. NMR shielding tensors for density fitted local second-order Møller-Plesset perturbation theory using gauge including atomic orbitals
12. The orbital-specific-virtual local coupled cluster singles and doubles method
13. An efficient local coupled cluster method for accurate thermochemistry of large systems
14. Approaching the theoretical limit in periodic local MP2 calculations with atomic-orbital basis sets: The case of LiH
15. Local ab initio methods for calculating optical band gaps in periodic systems. I. Periodic density fitted local configuration interaction singles method for polymers
16. Local CC2 response method for triplet states based on Laplace transform: Excitation energies and first-order properties
17. Molecular aniline clusters. II. The low-lying electronic excited states
18. Molecular aniline clusters. I. The electronic ground state
19. Periodic local Møller–Plesset second order perturbation theory method applied to molecular crystals: Study of solid NH3 and CO2 using extended basis sets
20. A multistate local coupled cluster CC2 response method based on the Laplace transform
21. Comment on “Minimax approximation for the decomposition of energy denominators in Laplace-transformed Møller–Plesset perturbation theories” [J. Chem. Phys. 129, 044112 (2008)]
22. The 2-naphthol-water2 cluster: Two competing types of hydrogen-bonding arrangements
23. Correlation regions within a localized molecular orbital approach
24. Phenol-water1⩽n⩽3 revisited: An ab initio study on the photophysics of these clusters at the level of coupled cluster response theory
25. Transition strengths and first-order properties of excited states from local coupled cluster CC2 response theory with density fitting
26. Local CC2 electronic excitation energies for large molecules with density fitting
27. Analytical energy gradients for local second-order Møller–Plesset perturbation theory using density fitting approximations
28. Low-order scaling local electron correlation methods. V. Connected triples beyond (T): Linear scaling local CCSDT-1b
29. Low-order scaling local electron correlation methods. IV. Linear scaling local coupled-cluster (LCCSD)
30. Low-order scaling local electron correlation methods. III. Linear scaling local perturbative triples correction (T)
31. Low-order scaling local correlation methods II: Splitting the Coulomb operator in linear scaling local second-order Møller–Plesset perturbation theory
32. Low-order scaling local electron correlation methods. I. Linear scaling local MP2
33. The aurophilic attraction as interpreted by local correlation methods
34. The water dimer interaction energy: Convergence to the basis set limit at the correlated level
35. The molecular and electronic structure ofs‐tetrazine in the ground and first excited state: A theoretical investigation
36. Intermolecular vibrations of phenol⋅(H2O)3 and d1-phenol⋅(D2O)3 in the S and S1 states
37. Low-lying stationary points and torsional interconversions of cyclic (H2O)4: An ab initio study
38. An ab initio derived torsional potential energy surface for (H2O)3. II. Benchmark studies and interaction energies
39. Erratum: Fluxionality and low-lying transition structures of the water trimer [J. Chem. Phys. 99, 5228 (1993)]
40. Fluxionality and low‐lying transition structures of the water trimer
41. Intermolecular bonding and vibrations of 2‐naphthol⋅H2O (D2O)
42. Intermolecular bonding and vibrations of phenol⋅H2O (D2O)
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