Publikationen

37.A DZ white dwarf with a 30 MG magnetic field
M. A. Hollands, S. Stopkowicz, M.-P. Kitsaras, F. Hampe, S. Blaschke and J.J. Hermes
Mon. Not. R. Astron. Soc., accepted (2023)
36.Trendbericht Theoretische Chemie 2022: Quantenchemie für Atome und Moleküle in starken Magnetfeldern
S. Stopkowicz
Nachr. Chem. 70, 11, 62-66 (2022)
35.Computation of NMR shieldings at the CASSCF level using gauge-including atomic orbitals and Cholesky decomposition
T. Nottoli, S. Burger, S. Stopkowicz, J. Gauss, and F. Lipparini
J. Chem. Phys. 157, 084122 (2022)
34.Cholesky decomposition of two-electron integrals in quantum-chemical calculations with perturbative or finite magnetic fields using gauge-including atomic orbitals
J. Gauss, S. Blaschke, S. Burger, T. Nottoli, F. Lipparini and S. Stopkowicz
Mol. Phys. 120, e2101562 (2022)
33.Cholesky decomposition of complex two-electron integrals over GIAOs: Efficient MP2 computations for large molecules in strong magnetic fields
S. Blaschke and S. Stopkowicz*
J. Chem. Phys., 156, 044115 (2022)
32.NMR chemical shift computations at second-order Møller–Plesset perturbation theory using gauge-including atomic orbitals and Cholesky-decomposed two-electron integrals
S. Burger, F. Lipparini, J. Gauss and S. Stopkowicz*
J. Chem. Phys.155, 074105 (2021)
31.Complex ground-state and excitation energies in coupled-cluster theory
S. Thomas, F. Hampe, S. Stopkowicz and J. Gauss*
Mol. Phys. 119, e1968056 (2021)
30.Spin contamination in MP2 and CC2, a surprising issue
M.-P. Kitsaras and S. Stopkowicz*
Communication, Special Issue "Special Collection in Honor of Women in Chemical Physics and Physical Chemistry": J. Chem. Phys154, 131101 (2021)
29.Foreword: Prof. Gauss Festschrift
J.J. Eriksen, S. Stopkowicz, T.-C. Jagau and T. Helgaker
Special Issue "In Honour of Jürgen Gauss": Mol. Phys. 118, e1817247 (2020)
28.Full triples contribution in coupled-cluster and equation-of-motion coupled-cluster methods for atoms and molecules in strong magnetic fields
Florian Hampe, Niklas Gross and S. Stopkowicz*
Phys. Chem. Chem. Phys. 22, 23522 (2020)
Part of the Themed Collections  "Emerging Investigator" & "2020 PCCP HOT Articles"
27.Coupled-cluster techniques for computational chemistry: The CFOUR program package
D. Matthews, L. Cheng, M.E. Harding, F. Lipparini, S. Stopkowicz, T.-C. Jagau, P.G. Szalay, J. Gauss* and J.F. Stanton
J. Chem. Phys. 152, 214108 (2020)
26.Transition-Dipole Moments for Electronic Excitations in Strong Magnetic Fields Using Equation-of-Motion and Linear Response Coupled-Cluster Theory
F. Hampe* and S. Stopkowicz*
J. Chem. Theory Comput. 15, 4036 (2019)
25.GW quasiparticle energies of atoms in strong magnetic fields
C. Holzer, A. M. Teale, F. Hampe, S. Stopkowicz, T. Helgaker and W. Klopper*
J. Chem. Phys150, 214112 (2019), Erratum:  J. Chem. Phys. 151, 069902 (2019)
24.A one-electron variant of direct perturbation theory for the treatment of scalar-relativistic effects
S. Stopkowicz and J. Gauss*
Special Issue “Dieter Cremer memorial Issue”: Mol. Phys. 117, 1242 (2019)
23.Kohn–Sham energy decomposition for molecules in a magnetic field
S. Reimann, A. Borgoo*, J. Austad, E. I. Tellgren, A. M. Teale, T. Helgaker and S. Stopkowicz
Mol. Phys. 117, 97 (2019)
22.Perspective: Coupled cluster theory for atoms and molecules in strong magnetic fields
S. Stopkowicz*
Special Issue “8th Congress of the International Society for Theoretical Chemical Physics”: Int. J. Quant. Chem. 118e25391 (2018)
21.Equation-of-motion coupled-cluster methods for atoms and molecules in strong magnetic fields
F. Hampe* and S. Stopkowicz*
J. Chem. Phys. 146, 154105 (2017)
AIP press release 
Pressemitteilung der Johannes-Gutenberg Universität
20.Current Density Functional Theory Using Meta-Generalized Gradient Exchange-Correlation Functionals
J. W. Furness*, J. Verbeke, E. I. Tellgren, S. Stopkowicz, U. Ekström, T. Helgaker and A. M. Teale*
J. Chem. Theory Comput. 11, 4169 (2015)
19.Spin-orbit couplings within the equation-of-motion coupled-cluster framework: Theory, implementation, and benchmark calculations
E. Epifanovsky, K. Klein, S. Stopkowicz, J. Gauss and A. I. Krylov
J. Chem. Phys. 143, 064102 (2015)
18.Coupled-cluster theory for atoms and molecules in strong magnetic fields
S. Stopkowicz*, J. Gauss, K. K. Lange, E. I. Tellgren and T. Helgaker
J. Chem. Phys. 143, 074110 (2015)
17.The importance of current contributions to shielding constants in density-functional theory
S. Reimann*, U. Ekström*, S. Stopkowicz, A. M. Teale, A. Borgoo and T. Helgaker
Phys. Chem. Chem. Phys. 17, 18834 (2015)
16.Revised values for the nuclear quadrupole moments of  33S  and  35S
S. Stopkowicz* and J. Gauss*
Phys. Rev. A 90, 022507 (2014)
15.Analytic energy derivatives in relativistic quantum chemistry
L. Cheng, S. Stopkowicz and J. Gauss*
Special Issue "VIIIth Congress of the International Society for Theoretical Chemical Physics": Int. J. Quantum Chem. 114, 1108 (2014)
14.Spin-free Dirac-Coulomb calculations augmented with a perturbative treatment of spin-orbit effects at the Hartree-Fock level
L. Cheng*, S. Stopkowicz* and J. Gauss*
J. Chem. Phys. 139, 214114 (2013)
13.The bromine nuclear quadrupole moment revisited
S. Stopkowicz, L. Cheng, M. E. Harding, C. Puzzarini and J. Gauss*
Special Issue “In Honour of Trygve Helgaker”: Mol. Phys. 111, 1382 (2013)
12.The route to high accuracy in ab initio calculations of Cu quadrupole-coupling constants
L. Cheng*, S. Stopkowicz*, J. F. Stanton* and J. Gauss*
J. Chem. Phys. 137, 224302 (2012)
11.Rotational Spectra of Rare Isotopic Species of Fluoroiodomethane: Determination of the Equilibrium Structure from Rotational Spectroscopy and Quantum-chemical Calculations
C. Puzzarini*, G. Cazzoli, J. C. López*, J. L. Alonso, A. Baldacci*, A. Baldan, S. Stopkowicz, L. Cheng and J. Gauss*
J. Chem. Phys. 137, 024310 (2012)
10.Direct perturbation theory in terms of energy derivatives: Scalar-relativistic treatment up to sixth order
W. Schwalbach*, S. Stopkowicz*, L. Cheng* and J. Gauss*
J. Chem. Phys. 135, 194114 (2011)
9.Precise Laboratory Measurements for trans-DCOOH and trans-HCOOD for Astrophysical Observations
G. Cazzoli, C. Puzzarini*, S. Stopkowicz and J. Gauss
Astrophys. J. Suppl 196, 10 (2011)
8.Spectroscopic investigation of fluoroiodomethane, CH2FI: Fourier-transform microwave and millimeter-/submillimeter-wave spectroscopy and quantum-chemical calculations
C. Puzzarini*, G. Cazzoli, J. C. López, J. L. Alonso, A. Baldacci*, A. Baldan, S. Stopkowicz, L. Cheng and J. Gauss*
J. Chem. Phys. 134, 174312 (2011)
7.Fourth-order relativistic corrections to electrical first-order properties using direct perturbation theory
S. Stopkowicz* and J. Gauss*
J. Chem. Phys. 134, 204106 (2011)
6.Microwave, High-Resolution Infrared, and Quantum Chemical Investigations of CHBrF2: Ground and v4 = 1 States
G. Cazzoli, L. Cludi, C. Puzzarini*, P. Stoppa, A. Pietropolli Charmet, N. Tasinato, A. Baldacci, A. Baldan, S. Giogianni, S. Stopkowicz and J. Gauss
J. Phys. Chem. A. 115, 453 (2011)
5.The rotational spectrum of trans-DCOOD: Lamb-dip measurements, THz spectroscopy and quantum-chemical calculations 
G. Cazzoli, C. Puzzarini*, S. Stopkowicz and J. Gauss*
Chem. Phys. Lett. 502, 42 (2011)
4.Direct perturbation theory in terms of energy derivatives: Fourth-order relativistic corrections at the Hartree–Fock level 
S. Stopkowicz* and J. Gauss*
J. Chem. Phys. 134, 064114 (2011)
3.Hyperfine structure in the rotational spectra of trans-formic acid: Lamb-dip measurements and quantum-chemical calculations 
G. Cazzoli*, C. Puzzarini*, S. Stopkowicz* and J. Gauss*
Astron. & Astrophys. 520, A64 (2010)
2.Relativistic Corrections to Electrical First-Order Properties using Direct Perturbation Theory 
S. Stopkowicz* and J. Gauss*
J. Chem. Phys. 129, 164119 (2008)
1.The Hyperfine Structure in the Rotational Spectra of Bromofluoromethane: Lamb-Dip Technique and Quantum-Chemical Calculations 
G. Cazzoli*, C. Puzzarini, S. Stopkowicz and J. Gauss
Special Issue “High Resolution Molecular Spectroscopy-Dijon 2007”: Mol. Phys. 106, 1181 (2008)