International Journal of Quantum Chemistry

Aims & Scope

Since its first formulation quantum chemistry has provided the conceptual and terminological framework necessary to understand atoms, molecules and the condensed matter.

Over the past decades synergistic advances in the methodological developments, software and hardware have transformed quantum chemistry in a truly interdisciplinary science that has expanded beyond its traditional core of molecular sciences to fields as diverse as chemistry and catalysis, biophysics, nanotechnology and material science.

View Aims & Scope

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Metrics & Ranking

Impact Factor

Year	Value
2025	2
2024	2.30

SJR (SCImago Journal Rank)

Year	Value
2024	0.384

Quartile

Year	Value
2024	Q3

h-index

Year	Value
2024	119

Journal Rank

Year	Value
2024	14198

Journal Citation Indicator

Year	Value
2024	14478

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Abstracting & Indexing

Journal is indexed in leading academic databases, ensuring global visibility and accessibility of our peer-reviewed research.

• Scopus
• Google Scholar
• Web of Science

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Subjects & Keywords

Journal’s research areas, covering key disciplines and specialized sub-topics in Chemistry and Physics and Astronomy, designed to support cutting-edge academic discovery.

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Most Cited Articles

The Most Cited Articles section features the journal's most impactful research, based on citation counts. These articles have been referenced frequently by other researchers, indicating their significant contribution to their respective fields.

• Configuration interaction calculations on the nitrogen molecule

  Citation: 2806

  Authors: Stephen R., Ernest R.

• A new energy decomposition scheme for molecular interactions within the Hartree‐Fock approximation

  Citation: 2003

  Authors: Kazuo, Keiji

• Jaguar: A high‐performance quantum chemistry software program with strengths in life and materials sciences

  Citation: 1620

  Authors: Art D., Edward, Thomas F., Jeremy R., Dale A., Dean M., David, Mathew D., Jing, Richard A.

• Electronic structure, properties, and phase stability of inorganic crystals: A pseudopotential plane-wave study

  Citation: 1579

  Authors: V., B., J. A., C. J., M. C., E. V., R. H.

• Many‐body perturbation theory, coupled‐pair many‐electron theory, and the importance of quadruple excitations for the correlation problem

  Citation: 1478

  Authors: Rodney J., George D.

• Density-functional method for very large systems with LCAO basis sets

  Citation: 1358

  Authors: Daniel, Pablo, Emilio, Jos� M.

• Theoretical models incorporating electron correlation

  Citation: 1331

  Authors: John A., J. Stephen, Rolf

• Approximate fourth‐order perturbation theory of the electron correlation energy

  Citation: 1234

  Authors: R., J. A.

• C<scp>RYSTAL14</scp>: A program for the<i>ab initio</i>investigation of crystalline solids

  Citation: 1187

  Authors: Roberto, Roberto, Alessandro, Claudio M., Bartolomeo, Silvia, Lorenzo, Matteo, Marco, Philippe, Yves, Mauro, Michel, Bernard

• TD-DFT benchmarks: A review

  Citation: 1144

  Authors: Adèle D., Denis

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