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Advances in Quantum Chemistry
Journal Prestige (SJR): 0.371

Citation Impact (citeScore): 1
Number of Followers: 5

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ISSN (Print) 0065-3276
Published by Elsevier

[2974 journals]

Hartree-Fock-Roothaan theory of molecular Compton profiles via the
position space method
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  Abstract: Publication date: Available online 30 May 2023Source: Advances in Quantum ChemistryAuthor(s): Telhat Ozdogan, Melek Eraslan, Metin Orbay
Hartree–Fock calculations on atoms with coulomb Sturmian basis sets
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  Abstract: Publication date: Available online 30 May 2023Source: Advances in Quantum ChemistryAuthor(s): Daniel Gebremedhin, Charles Weatherford
How to make symmetry-adapted perturbation theory more accurate'
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  Abstract: Publication date: Available online 24 May 2023Source: Advances in Quantum ChemistryAuthor(s): Tatiana Korona, Michał Hapka, Katarzyna Pernal, Konrad Patkowski
From the Kołos–Wolniewicz calculations to the quantum-electrodynamic
treatment of the hydrogen molecule: Competition between theory and
experiment
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  Abstract: Publication date: Available online 22 May 2023Source: Advances in Quantum ChemistryAuthor(s): Mariusz Puchalski, Robert Moszyński, Jacek Komasa
Potential energy surface of Li–O₂ system for cold
collisions
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  Abstract: Publication date: Available online 16 May 2023Source: Advances in Quantum ChemistryAuthor(s): Piotr S. Żuchowski, Katarzyna Madajczyk
Electronic convection in resultant information-theoretic description of
molecular states and communications
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  Abstract: Publication date: Available online 16 May 2023Source: Advances in Quantum ChemistryAuthor(s): Roman F. Nalewajski
How competitive are expansions in orbital products with explicitly
correlated expansions for helium dimer'
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  Abstract: Publication date: Available online 12 May 2023Source: Advances in Quantum ChemistryAuthor(s): Krzysztof Szalewicz, Wojciech Cencek, Bogumił Jeziorski, Konrad Patkowski, Michał Przybytek
Nonrelativistic non-Born–Oppenheimer approach for calculating atomic and
molecular spectra using all-particle explicitly correlated Gaussian
functions
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  Abstract: Publication date: Available online 10 May 2023Source: Advances in Quantum ChemistryAuthor(s): Monika Stanke, Ludwik Adamowicz
Coupled-cluster downfolding techniques: A review of existing applications
in classical and quantum computing for chemical systems
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  Abstract: Publication date: Available online 24 April 2023Source: Advances in Quantum ChemistryAuthor(s): Nicholas P. Bauman, Bo Peng, Karol Kowalski
From bulk to surface—Transferability of water atomic charges
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  Abstract: Publication date: Available online 24 April 2023Source: Advances in Quantum ChemistryAuthor(s): Anna Stachowicz-Kuśnierz, Jacek Korchowiec
Advanced models of coupled-cluster theory for the ground, excited, and
ionized states
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  Abstract: Publication date: Available online 17 April 2023Source: Advances in Quantum ChemistryAuthor(s): Monika Musiał, Stanisław A. Kucharski
ETS-NOCV and molecular electrostatic potential-based picture of chemical
bonding
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  Abstract: Publication date: Available online 6 April 2023Source: Advances in Quantum ChemistryAuthor(s): Olga Żurowska, Mariusz P. Mitoraj, Artur Michalak
Quantum Monte Carlo method describing supported metal catalysis:
Ni(111)/alumina decomposing methane as a route to hydrogen
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  Abstract: Publication date: Available online 6 April 2023Source: Advances in Quantum ChemistryAuthor(s): Philip E. Hoggan
Potential energy curves of the LiRb+ molecular ion from ab initio
calculations with all electrons correlated
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  Abstract: Publication date: Available online 4 April 2023Source: Advances in Quantum ChemistryAuthor(s): Grzegorz Skrzyński, Monika Musiał
Physically meaningful solutions of optimized effective potential equations
in a finite basis set within KS-DFT framework
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  Abstract: Publication date: Available online 4 April 2023Source: Advances in Quantum ChemistryAuthor(s): Aditi Singh, Vignesh Balaji Kumar, Ireneusz Grabowski, Szymon Śmiga
Exploring new exchange-correlation kernels in the Bethe–Salpeter
equation: A study of the asymmetric Hubbard dimer
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  Abstract: Publication date: Available online 28 March 2023Source: Advances in Quantum ChemistryAuthor(s): Roberto Orlando, Pina Romaniello, Pierre-François Loos
3 − anion &rft.title=Advances+in+Quantum+Chemistry&rft.issn=0065-3276&rft.date=&rft.volume=">Natural orbital functional theory studies of all-metal aromaticity: The
Al 3 − anion
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  Abstract: Publication date: Available online 25 March 2023Source: Advances in Quantum ChemistryAuthor(s): Jose M. Mercero, Rafael Grande-Aztatzi, Jesus M. Ugalde, Mario Piris
Analysis of research trends on the investigation of molecular integrals
over Slater type orbitals
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  Abstract: Publication date: Available online 25 March 2023Source: Advances in Quantum ChemistryAuthor(s): Mehmet Kara, Telhat Özdoğan, Metin Orbay
Interparticle correlations and chemical bonding from physical side:
Covalency vs atomicity and ionicity
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  Abstract: Publication date: Available online 16 March 2023Source: Advances in Quantum ChemistryAuthor(s): Ewa Brocławik, Maciej Fidrysiak, Maciej Hendzel, Józef Spałek
Methane activation and transformation to ethylene on Mo-(oxy)carbide as a
key step of CH4 to aromatics
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  Abstract: Publication date: Available online 14 March 2023Source: Advances in Quantum ChemistryAuthor(s): Dorota Rutkowska-Zbik, Renata Tokarz-Sobieraj, Małgorzata Witko
Relativistic perturbative and infinite-order two-component methods for
heavy elements: Radium atom
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  Abstract: Publication date: Available online 14 March 2023Source: Advances in Quantum ChemistryAuthor(s): Maria Barysz
Generalized exciton with a noninteger particle and hole charge as an
excitation order
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  Abstract: Publication date: Available online 14 March 2023Source: Advances in Quantum ChemistryAuthor(s): Oleg V. Gritsenko, Mohammad Reza Jangrouei, Katarzyna Pernal
Convergence of Møller–Plesset perturbation theory for excited
reference states
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  Abstract: Publication date: Available online 13 March 2023Source: Advances in Quantum ChemistryAuthor(s): Diana-Gabriela Oprea, Hugh G.A. Burton
Exploring the attosecond laser-driven electron dynamics in the hydrogen
molecule with different real-time time-dependent configuration interaction
approaches
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  Abstract: Publication date: Available online 2 March 2023Source: Advances in Quantum ChemistryAuthor(s): Aleksander P. Woźniak, Maciej Lewenstein, Robert Moszyński
Molecular systems in spatial confinement: Variation of linear and
nonlinear electrical response of molecules in the bond dissociation
processes
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  Abstract: Publication date: Available online 2 March 2023Source: Advances in Quantum ChemistryAuthor(s): Wojciech Bartkowiak, Paweł Lipkowski, Marta Chołuj
An efficient approximation for accelerating convergence of numerical power
series: Results for the 1D-Schrödinger equation
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  Abstract: Publication date: Available online 13 January 2023Source: Advances in Quantum ChemistryAuthor(s): A. Bağcı, Z. Güneş