A coupled cluster and full configuration interaction study of CN and CN−
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Exact treatment of chemical problems remains classically infeasible for compounds with more than 2-3 atoms.
“exact treatment of these problems remains classically infeasible for compounds with more than 2–3 atoms1”
From A variational eigenvalue solver on a photonic quantum processor (2014) · cites this paper as [1]
Cites
Dunning, T. H. (1989) · The Journal of Chemical Physics · doi:10.1063/1.456153 · Cited by 31,693 · see citing works
Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions
Kendall, R. A., Dunning, T. H., & Harrison, R. J. (1992) · The Journal of Chemical Physics · doi:10.1063/1.462569 · Cited by 15,736 · see citing works
A fifth-order perturbation comparison of electron correlation theories
Raghavachari, K., Trucks, G. W., Pople, J. A., & Head‐Gordon, M. (1989) · Chemical Physics Letters · doi:10.1016/s0009-2614(89)87395-6 · Cited by 8,511 · see citing works
A full coupled-cluster singles and doubles model: The inclusion of disconnected triples
Purvis, G. D., & Bartlett, R. J. (1982) · The Journal of Chemical Physics · doi:10.1063/1.443164 · Cited by 6,538 · see citing works
Molecular electronic-structure theory
Ratner, M. A. (2000) · Cited by 1,506 · see citing works
Olsen, J., Roos, B. O., rgensen, P. J., & Jensen, H. J. A. (1988) · The Journal of Chemical Physics · doi:10.1063/1.455063 · Cited by 1,083 · see citing works
Self-citationHigher excitations in coupled-cluster theory
Kállay, M., & Śurján, P. R. (2001) · The Journal of Chemical Physics · doi:10.1063/1.1383290 · Cited by 757 · see citing works
W3 theory: Robust computational thermochemistry in the kJ/mol accuracy range
Boese, A. D., Oren, M., Atasoylu, O., Martin, J. M. L., Kállay, M., & Gauss, J. (2004) · The Journal of Chemical Physics · doi:10.1063/1.1638736 · Cited by 483 · see citing works
Modern Electronic Structure Theory
Yarkony, D. R. (1995) · WORLD SCIENTIFIC eBooks · doi:10.1142/1957-part1 · Cited by 396 · see citing works
W3 theory: robust computational thermochemistry in the kJ/mol accuracy range
Boese, A. D., Oren, M., Atasoylu, O., Martin, J. M. L., Kallay, M., & Gauss, J. (2003) · CERN Document Server (European Organization for Nuclear Research) · Cited by 386 · see citing works
Olsen, J., rgensen, P. J., Henrik Koch, A., Balková, A., & Bartlett, R. J. (1996) · The Journal of Chemical Physics · doi:10.1063/1.471518 · Cited by 289 · see citing works
Self-citationPawłowski, F., Jørgensen, P., Olsen, J., Hegelund, F., Helgaker, T. U., Gauß, J., Bak, K. L., & Stanton, J. F. (2002) · The Journal of Chemical Physics · doi:10.1063/1.1459782 · Cited by 268 · see citing works
Self-citationBak, K. L., Jørgensen, P., Olsen, J., Helgaker, T. U., & Klopper, W. (2000) · The Journal of Chemical Physics · doi:10.1063/1.481544 · Cited by 235 · see citing works
Self-citationThe initial implementation and applications of a general active space coupled cluster method
Olsen, J. (2000) · The Journal of Chemical Physics · doi:10.1063/1.1290005 · Cited by 221 · see citing works
Self-citationPerformance of CCSDT for diatomic dissociation energies
Feller, D. F., & Sordo, J. Á. (2000) · The Journal of Chemical Physics · doi:10.1063/1.481827 · Cited by 184 · see citing works
Error analysis and improvements of coupled-cluster theory
Kutzelnigg, W. (1991) · Theoretica Chimica Acta · doi:10.1007/bf01117418 · Cited by 174 · see citing works
Li, X., & Paldus, J. (1994) · The Journal of Chemical Physics · doi:10.1063/1.468074 · Cited by 173 · see citing works
A second-order perturbative correction to the coupled-cluster singles and doubles method: CCSD(2)
Gwaltney, S. R., & Head‐Gordon, M. (2001) · The Journal of Chemical Physics · doi:10.1063/1.1383589 · Cited by 164 · see citing works
Byrd, E. F. C., Sherrill, C. D., & Head‐Gordon, M. (2001) · The Journal of Physical Chemistry A · doi:10.1021/jp011132x · Cited by 148 · see citing works
Computing coupled-cluster wave functions with arbitrary excitations
Kállay, M., & Śurján, P. R. (2000) · The Journal of Chemical Physics · doi:10.1063/1.481925 · Cited by 138 · see citing works
High-order coupled-cluster calculations through connected octuple excitations
Hirata, S., & Bartlett, R. J. (2000) · Chemical Physics Letters · doi:10.1016/s0009-2614(00)00387-0 · Cited by 123 · see citing works
Larsen, H., Olsen, J., Jørgensen, P., & Ove Christiansen, A. (2000) · The Journal of Chemical Physics · doi:10.1063/1.1311294 · Cited by 119 · see citing works
Self-citationA general coupled cluster study of the N2 molecule
Krogh, J. W., & Olsen, J. (2001) · Chemical Physics Letters · doi:10.1016/s0009-2614(01)00853-3 · Cited by 79 · see citing works
Self-citationSpin-restricted open-shell coupled-cluster theory
Szalay, P. G., & Gauß, J. (1997) · The Journal of Chemical Physics · doi:10.1063/1.475220 · Cited by 78 · see citing works
Coupled-cluster connected-quadruples corrections to atomization energies
Ruden, T. A., Helgaker, T. U., Jørgensen, P., & Olsen, J. (2003) · Chemical Physics Letters · doi:10.1016/s0009-2614(03)00225-2 · Cited by 74 · see citing works
Self-citationPerformance of CCSDT for first row AB/AB− diatomics: Dissociation energies and electron affinities
Sordo, J. Á. (2001) · The Journal of Chemical Physics · doi:10.1063/1.1335617 · Cited by 58 · see citing works
Kucharski, S. A., Watts, J. D. W., & Bartlett, R. J. (1999) · Chemical Physics Letters · doi:10.1016/s0009-2614(99)00073-1 · Cited by 46 · see citing works
Neogrády, P., Medveď, M., Černušák, I., & Urban, M. (2002) · Molecular Physics · doi:10.1080/00268970110095660 · Cited by 46 · see citing works
Equilibrium Geometry of the Ethynyl (CCH) Radical
Szalay, P. G., Thøgersen, L., Olsen, J., Kállay, M., & Gauß, J. (2004) · The Journal of Physical Chemistry A · doi:10.1021/jp036885t · Cited by 42 · see citing works
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A variational eigenvalue solver on a photonic quantum processor
Peruzzo, A., McClean, J., Shadbolt, P., Yung, M.-H., Zhou, X.-Q., Love, P. J., Aspuru-Guzik, A., & O’Brien, J. L. (2014) · Nature Communications · doi:10.1038/ncomms5213 · Cited by 4,552 · see citing works
“The advantage of this approach is that the coherence time to make a single measurement after preparing the state is O(1).”
BackgroundAdvances in methods and algorithms in a modern quantum chemistry program package
Shao, Y., Füsti-Molnár, L., Jung, Y., Kußmann, J., Ochsenfeld, C., Brown, S. T., Gilbert, A. T. B., Slipchenko, L. V., Levchenko, S. V., O'Neill, D. P., et al. (2006) · Physical Chemistry Chemical Physics · doi:10.1039/b517914a · Cited by 2,805 · see citing works
Quantum Chemistry in the Age of Quantum Computing
Cao, Y., Romero, J., Olson, J. P., Degroote, M., Johnson, P. D., Kieferová, M., Kivlichan, I. D., Menke, T., Peropadre, B., Sawaya, N. P. D., et al. (2019) · Chemical Reviews · doi:10.1021/acs.chemrev.8b00803 · Cited by 1,560 · see citing works
Simulated Quantum Computation of Molecular Energies
Aspuru-Guzik, A., Dutoi, A. D., Love, P. J., & Head-Gordon, M. (2005) · Science · doi:10.1126/science.1113479 · Cited by 1,418 · see citing works
Quantum Chemistry in the Age of Quantum Computing
Cao, Y., Romero, J., Olson, J., Degroote, M., Johnson, P., Kieferová, M., Kivlichan, I., Menke, T., Peropadre, B., Sawaya, N., et al. (n.d.) · OPUS - Open Publications of UTS Scholars (University of Technology Sydney) · Cited by 1,265 · see citing works
NMR implementation of a molecular hydrogen quantum simulation with adiabatic state preparation.
Du, J., Xu, N., Peng, X., Wang, P.-F., Wu, S., & Lu, D.-W. (2010) · Physical Review Letters · doi:10.1103/physrevlett.104.030502 · Cited by 205 · see citing works
Variational quantum algorithms for discovering Hamiltonian spectra
Jones, T., Endo, S., McArdle, S., Yuan, X., & Benjamin, S. C. (2019) · Physical Review A · doi:10.1103/physreva.99.062304 · Cited by 256 · see citing works
Heckert, M., Kállay, M., & Gauß, J. (2005) · Molecular Physics · doi:10.1080/00268970500083416 · Cited by 197 · see citing works
Multi-scale computational modelling in biology and physiology
Southern, J. A., Pitt‐Francis, J., Whiteley, J., Stokeley, D., Kobashi, H., Nobes, R. H., Kadooka, Y., & Gavaghan, D. J. (2007) · Progress in Biophysics and Molecular Biology · doi:10.1016/j.pbiomolbio.2007.07.019 · Cited by 180 · see citing works
Exploiting Locality in Quantum Computation for Quantum Chemistry
McClean, J. R., Babbush, R., Love, P. J., & Aspuru-Guzik, A. (2014) · The Journal of Physical Chemistry Letters · doi:10.1021/jz501649m · Cited by 125 · see citing works
Quantum algorithm for obtaining the energy spectrum of molecular systems
Wang, H., Kais, S., Aspuru-Guzik, A., & Hoffmann, M. R. (2008) · Physical Chemistry Chemical Physics · doi:10.1039/b804804e · Cited by 109 · see citing works
Taming the First-Row Diatomics: A Full Configuration Interaction Quantum Monte Carlo Study
Cleland, D. M., Booth, G. H., Overy, C., & Alavi, A. (2012) · Journal of Chemical Theory and Computation · doi:10.1021/ct300504f · Cited by 95 · see citing works
Klappenberger, F. (2013) · Progress in Surface Science · doi:10.1016/j.progsurf.2013.10.002 · Cited by 85 · see citing works
Quantum algorithm for obtaining the energy spectrum of molecular systems
Wang, H., Kais, S., Aspuru‐Guzik, A., & Hoffmann, M. R. (2008) · Digital Access to Scholarship at Harvard (DASH) (Harvard University) · Cited by 75 · see citing works
The Shape of Full Configuration Interaction to Come
Eriksen, J. J. (2021) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.0c03225 · Cited by 66 · see citing works
Sugisaki, K., Yamamoto, S., Nakazawa, S., Toyota, K., Sato, K., Shiomi, D., & Takui, T. (2016) · The Journal of Physical Chemistry A · doi:10.1021/acs.jpca.6b04932 · Cited by 55 · see citing works
Efficient quantum algorithm for preparing molecular-system-like states on a quantum computer
Wang, H., Ashhab, S., & Nori, F. (2009) · Physical Review A · doi:10.1103/physreva.79.042335 · Cited by 48 · see citing works
Li, Z., Liu, X., Wang, H., Ashhab, S., Cui, J., Chen, H., Peng, X., & Du, J. (2019) · Physical Review Letters · doi:10.1103/physrevlett.122.090504 · Cited by 42 · see citing works
Transition Dipole Moments and Transition Probabilities of the CN Radical
Yin, Y., Shi, D., Sun, J., & Zhu, Z. (2018) · The Astrophysical Journal Supplement Series · doi:10.3847/1538-4365/aab26b · Cited by 39 · see citing works
Electron collisions with the CN radical: bound states and resonances
Harrison, S., & Tennyson, J. (2012) · Journal of Physics B Atomic Molecular and Optical Physics · doi:10.1088/0953-4075/45/3/035204 · Cited by 36 · see citing works
Dieter Cremer, A. (2013) · Wiley Interdisciplinary Reviews Computational Molecular Science · doi:10.1002/wcms.1131 · Cited by 33 · see citing works
Post-CCSD(T) corrections to bond distances and vibrational frequencies: the power of Λ
Spiegel, M., Semidalas, E. C., Martin, J. M. L., Bentley, M. R., & Stanton, J. F. (2023) · Molecular Physics · doi:10.1080/00268976.2023.2252114 · Cited by 29 · see citing works
Lehtola, S., Tubman, N. M., Whaley, K. B., & Head-Gordon, M. (2017) · The Journal of Chemical Physics · doi:10.1063/1.4996044 · Cited by 29 · see citing works
A sparse matrix based full-configuration interaction algorithm
Rolik, Z., Szabados, Á., & Śurján, P. R. (2008) · The Journal of Chemical Physics · doi:10.1063/1.2839304 · Cited by 29 · see citing works
Implementation of the locally renormalized CCSD(T) approaches for arbitrary reference function
Kowalski, K. (2005) · The Journal of Chemical Physics · doi:10.1063/1.1944723 · Cited by 29 · see citing works
Li, X., Gour, J. R., Paldus, J., & Piotr Piecuch, B. (2008) · Chemical Physics Letters · doi:10.1016/j.cplett.2008.07.004 · Cited by 26 · see citing works
Finite-temperature full configuration interaction
Kou, Z., & Hirata, S. (2014) · Theoretical Chemistry Accounts · doi:10.1007/s00214-014-1487-4 · Cited by 25 · see citing works
Shi, D., Li, W., Sun, J., & Zhu, Z. (2011) · Journal of Quantitative Spectroscopy and Radiative Transfer · doi:10.1016/j.jqsrt.2011.06.002 · Cited by 23 · see citing works
Lehtola, S., Tubman, N. M., Whaley, K. B., & Head‐Gordon, M. (2017) · eScholarship (California Digital Library) · Cited by 18 · see citing works
Shi, D., Liu, H., Zhang, X., Sun, J., Zhu, Z., & Liu, Y. (2010) · Journal of Molecular Structure THEOCHEM · doi:10.1016/j.theochem.2010.06.015 · Cited by 16 · see citing works
Batista, A. P. D. L., de Oliveira‐Filho, A. G. S., & Ornellas, F. R. (2011) · The Journal of Physical Chemistry A · doi:10.1021/jp204497p · Cited by 15 · see citing works
Veeraraghavan, S., & Mazziotti, D. A. (2014) · The Journal of Chemical Physics · doi:10.1063/1.4868242 · Cited by 9 · see citing works
Puzzarini, C., & Gauß, J. (2013) · Molecular Physics · doi:10.1080/00268976.2013.797614 · Cited by 8 · see citing works
Lu, D., Xu, N., Xu, B., Li, Z., Chen, H., Peng, X., Xu, R., & Du, J. (2012) · Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences · doi:10.1098/rsta.2011.0360 · Cited by 6 · see citing works
Quantum simulation of small molecules for multiple applications
Kesari, A. S., Chaganti, S. K., & Chowdhury, C. (2024) · Chemical Physics · doi:10.1016/j.chemphys.2024.112195 · Cited by 5 · see citing works
Execution of a quantum algorithm for calculating energies of some quantum mechanical systems
Chaganti, S. K., Kesari, A. S., & Chowdhury, C. (2023) · Chemical Physics · doi:10.1016/j.chemphys.2023.112082 · Cited by 4 · see citing works
Chattopadhyay, S. (2020) · The Journal of Physical Chemistry A · doi:10.1021/acs.jpca.9b11522 · Cited by 4 · see citing works
Kou, Z., Shen, J., Xu, E., & Li, S. (2012) · The Journal of Physical Chemistry A · doi:10.1021/jp309218q · Cited by 3 · see citing works
Quantum algorithms for simulation of quantum chemistry problems by quantum computers: an appraisal
Sharma, S. (2022) · Foundations of Chemistry · doi:10.1007/s10698-022-09428-9 · Cited by 3 · see citing works
Quantum Multi-Round Resonant Transition Algorithm
Yang, F., Chen, X., Zhao, D., Wei, S., Wen, J., Wang, H., Xin, T., & Long, G. (2022) · Entropy · doi:10.3390/e25010061 · Cited by 3 · see citing works
Zha, X., Zhang, C., Fan, D., Xu, P., Du, S., Zhang, R. Q., & Chen, F. (2020) · arXiv (Cornell University) · doi:10.48550/arxiv.2006.15852 · Cited by 4 · see citing works
Liu, L., & Cheng, X. (2021) · Computational and Theoretical Chemistry · doi:10.1016/j.comptc.2021.113582 · Cited by 2 · see citing works
Jones, G. H., Barman, A., Shepelenko, M., & Martin, J. M. L. (2026) · Chemical Physics Letters · doi:10.1016/j.cplett.2026.142951 · Cited by 1 · see citing works
Algorithms Bridging Quantum Computation and Chemistry
McClean, J. R. (2015) · Digital Access to Scholarship at Harvard (DASH) (Harvard University) · Cited by 1 · see citing works
Fast electronic structure methods for studying highly-correlated molecular systems.
Beran, G. J. O. (2005)
Quantum Monte Carlo study of correlated electronic systems
Chen, L. (2017) · Illinois Digital Environment for Access to Learning and Scholarship (University of Illinois at Urbana-Champaign)
Zhang, Z. (2020) · arXiv (Cornell University) · doi:10.48550/arxiv.2009.03537 · Cited by 1 · see citing works
Quantum‐Enhanced Computing for the Antiferromagnetic J1−J2$J_1-J_2$ Heisenberg Model
Guo, Y., Guo, F., Zhong, B., Chen, X., Yuan, X., Jin, X., & Tang, H. L. (2025) · Advanced Quantum Technologies · doi:10.1002/qute.202300240
Penalty-free quantum algorithm to find energy eigenstates
Ma, N., Dai, H., & Gong, J. (2026) · Physical Review A · doi:10.1103/25rr-mpyj
- Authors
- Thøgersen, L., & Olsen, J.
- Affiliations
- Aarhus University (DK)
- Corresponding author
- Olsen, Jeppe
- ORCID
- Olsen, Jeppe
- Venue
- Chemical Physics Letters
- Publisher
- Elsevier BV
- Published
- 2004-07
- Volume
- 393
- Issue
- 1-3
- Pages
- 36-43
- ISSN
- 0009-2614 (ISSN-L)
- OpenAlex
- W1998024794
- Cited by
- 49
- References
- 30
- Citations by year
- 2026: 2 · 2025: 2 · 2024: 1 · 2023: 2 · 2022: 2 · 2021: 1 · 2020: 4 · 2019: 3 · 2018: 1 · 2017: 3 · 2016: 1 · 2015: 1 · 2014: 4 · 2013: 3 · 2012: 4
- FWCI
- 1.23
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- Chemical Physics Letters (publishedVersion)
- Topics
- Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Advanced Chemical Physics Studies
- Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Atomic and Molecular Physics
- Physical Sciences › Chemistry › Physical and Theoretical Chemistry › Advanced Physical and Chemical Molecular Interactions
- Keywords
- cyanogen radical, cyanide ion, CN, coupled-cluster theory, full configuration interaction, electron affinity, atomization energies, vibrational frequencies, quadruple excitations, open-shell systems, equilibrium bond length
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