Alexander Zech

University of California System — United States

Physics and Astronomy · Physical Sciences

11h-index2.6kcitations27works10.02yr avg
OpenAlex↗ORCID↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Spectroscopy and Quantum Chemical Studies(15), Advanced Chemical Physics Studies(14), Crystallization and Solubility Studies(6), X-ray Diffraction in Crystallography(6), Advanced NMR Techniques and Applications(3)

Publications26 total

Second-Generation Energy Decomposition Analysis of Intermolecular Interaction Energies from the Second-Order Moller–Plesset Theory: An Extensible, Orthogonal Formulation with Useful Basis Set Convergence for All Terms
Journal of Chemical Theory and Computation·2025· 10 cited
CateCom: A Practical Data-Centric Approach to Categorization of Computational Models
Journal of Chemical Information and Modeling·2022· 2 citedOpen Access
Effective Two-Body Interactions
The Journal of Physical Chemistry A·2021· 13 cited
Benchmark of the Extension of Frozen-Density Embedding Theory to Nonvariational Correlated Methods: The Embedded-MP2 Case
Journal of Chemical Theory and Computation·2021· 6 cited
Dissociation of HCl in water nanoclusters: an energy decomposition analysis perspective
Physical Chemistry Chemical Physics·2021· 3 cited
OpenMolcas: From Source Code to Insight
Journal of Chemical Theory and Computation·2019· 1.1k citedOpen Access
OpenMolcas: From Source Code to Insight
2019· 2 citedOpen Access
OpenMolcas: From Source Code to Insight
2019· 6 citedOpen Access
Extension of frozen-density embedding theory for non-variational embedded wavefunctions
The Journal of Chemical Physics·2019· 12 citedOpen Access
Development of Frozen-Density Embedding theory methods with correlated wavefunctions
Archive ouverte UNIGE (University of Geneva)·2019Open Access
Benchmark of Excitation Energy Shifts from Frozen-Density Embedding Theory: Introduction of a Density-Overlap-Based Applicability Threshold
Journal of Chemical Theory and Computation·2018· 31 cited
Explicit <i>vs.</i> implicit electronic polarisation of environment of an embedded chromophore in frozen-density embedding theory
Physical Chemistry Chemical Physics·2018· 18 cited
Implementation and Application of the Frozen Density Embedding Theory with the Algebraic Diagrammatic Construction Scheme for the Polarization Propagator up to Third Order
Journal of Chemical Theory and Computation·2017· 24 cited
First time combination of frozen density embedding theory with the algebraic diagrammatic construction scheme for the polarization propagator of second order
The Journal of Chemical Physics·2016· 42 citedOpen Access
Homogeneity properties of the embedding potential in frozen-density embedding theory
Molecular Physics·2015· 8 cited
Orthogonality of embedded wave functions for different states in frozen-density embedding theory
The Journal of Chemical Physics·2015· 30 citedOpen Access
Ab initio quantum study of UV absorption spectra of cis- and trans-hexatriene
Journal of Molecular Spectroscopy·2015· 11 cited
CCDC 944357: Experimental Crystal Structure Determination
The Cambridge Structural Database·2013Open Access
CCDC 944358: Experimental Crystal Structure Determination
The Cambridge Structural Database·2013Open Access
CCDC 944359: Experimental Crystal Structure Determination
The Cambridge Structural Database·2013Open Access
page 1 of 2Next →

Frequent Co-authors

Tomasz A. Wesołowski(11), Andreas Dreuw(8), M.F. Haddow(8), Gareth R. Owen(8), Francesco Aquilante(6), Benjamin W. Rawe(4), Hafiizah Othman(4), Ignacio Fdez. Galván(3), Morgane Vacher(3), Ali Alavi(3), Celestino Angeli(3), Jochen Autschbach(3), Jie J. Bao(3), Sergey I. Bokarev(3), Nikolay A. Bogdanov(3), Rebecca K. Carlson(3), Liviu F. Chibotaru(3), Joel Creutzberg(3), Nike Dattani(3), Mickaël G. Delcey(3)