Eugene Feenberg, Ph.D. - Related publications

Affiliations: 
1938-1946 Physics New York University, New York, NY, United States 
 1946-1974 Physics Washington University, Saint Louis, St. Louis, MO 
Area:
Quantum mechanics, Nuclear physics
Website:
http://www.nap.edu/read/4961/chapter/7
NOTE: We are testing a new system for identifying relevant work based on semantic analysis that identifies similarities between recently published papers and the current author's publications. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches.
50 most relevant papers in past 60 days:
Year Citation  Score
2021 Zhang D, Truhlar DG. Decomposition of the Electronic Energy in Terms of Density, Density Coherence, and the Connected Part of the Two-Body Reduced Density Matrix. Journal of Chemical Theory and Computation. PMID 34464113 DOI: 10.1021/acs.jctc.1c00679   
2021 Simons J. Analysis of Stabilization and Extrapolation Methods for Determining Energies and Lifetimes of Metastable Electronic States. The Journal of Physical Chemistry. A. PMID 34428376 DOI: 10.1021/acs.jpca.1c03920   
2021 Mei Y, Chen Z, Yang W. Exact Second-Order Corrections and Accurate Quasiparticle Energy Calculations in Density Functional Theory. The Journal of Physical Chemistry Letters. 7236-7244. PMID 34310157 DOI: 10.1021/acs.jpclett.1c01962   
2021 Mei Y, Chen Z, Yang W. Exact Second-Order Corrections and Accurate Quasiparticle Energy Calculations in Density Functional Theory. The Journal of Physical Chemistry Letters. 7236-7244. PMID 34310157 DOI: 10.1021/acs.jpclett.1c01962   
2021 Kraus P. Extrapolating DFT Toward the Complete Basis Set Limit: Lessons from the PBE Family of Functionals. Journal of Chemical Theory and Computation. PMID 34351738 DOI: 10.1021/acs.jctc.1c00542   
2021 Liu S, Liu R, Li H, Yao Z, Shi X, Wang P, Liu B. Cobalt-Nitrogen Compounds at High Pressure. Inorganic Chemistry. PMID 34459583 DOI: 10.1021/acs.inorgchem.1c01304   
2021 Giner E, Traore D, Pradines B, Toulouse J. Self-consistent density-based basis-set correction: How much do we lower total energies and improve dipole moments? The Journal of Chemical Physics. 155: 044109. PMID 34340379 DOI: 10.1063/5.0057957   
2021 Chakravarty C, Aksu H, Maiti B, Dunietz BD. Electronic Spectra of C Films Using Screened Range Separated Hybrid Functionals. The Journal of Physical Chemistry. A. PMID 34448570 DOI: 10.1021/acs.jpca.1c04908   
2021 Bussy A, Hutter J. First-principles correction scheme for linear-response time-dependent density functional theory calculations of core electronic states. The Journal of Chemical Physics. 155: 034108. PMID 34293885 DOI: 10.1063/5.0058124   
2021 Kahn Y, Krnjaic G, Mandava B. Dark Matter Detection with Bound Nuclear Targets: The Poisson Phonon Tail. Physical Review Letters. 127: 081804. PMID 34477403 DOI: 10.1103/PhysRevLett.127.081804   
2021 Hirao K, Nakajima T, Chan B. An improved Slater's transition state approximation. The Journal of Chemical Physics. 155: 034101. PMID 34293872 DOI: 10.1063/5.0059934   
2021 Hirao K, Nakajima T, Chan B. An improved Slater's transition state approximation. The Journal of Chemical Physics. 155: 034101. PMID 34293872 DOI: 10.1063/5.0059934   
2021 Haase PAB, Doeglas DJ, Boeschoten A, Eliav E, Iliaš M, Aggarwal P, Bethlem HL, Borschevsky A, Esajas K, Hao Y, Hoekstra S, Marshall VR, Meijknecht TB, Mooij MC, Steinebach K, ... , et al. Systematic study and uncertainty evaluation of P, T-odd molecular enhancement factors in BaF. The Journal of Chemical Physics. 155: 034309. PMID 34293876 DOI: 10.1063/5.0047344   
2021 Hasyim MR, Mandadapu KK. A theory of localized excitations in supercooled liquids. The Journal of Chemical Physics. 155: 044504. PMID 34340382 DOI: 10.1063/5.0056303   
2021 Gunturu KC, Schulzke C. A computational probe granting insight into intra and inter-stacking interactions in squaraine dye derivatives. Physical Chemistry Chemical Physics : Pccp. PMID 34278409 DOI: 10.1039/d1cp01387d   
2021 Weng G, Vlček V. Efficient treatment of molecular excitations in the liquid phase environment via stochastic many-body theory. The Journal of Chemical Physics. 155: 054104. PMID 34364336 DOI: 10.1063/5.0058410   
2021 Patanen M, Abid AR, Pratt ST, Kivimäki A, Trofimov AB, Skitnevskaya AD, Grigoricheva EK, Gromov EV, Powis I, Holland DMP. Valence shell photoelectron angular distributions and vibrationally resolved spectra of imidazole: A combined experimental-theoretical study. The Journal of Chemical Physics. 155: 054304. PMID 34364329 DOI: 10.1063/5.0058983   
2021 König G, Ries B, Hünenberger PH, Riniker S. Efficient Alchemical Intermediate States in Free Energy Calculations Using λ-Enveloping Distribution Sampling. Journal of Chemical Theory and Computation. PMID 34476947 DOI: 10.1021/acs.jctc.1c00418   
2021 Heindel JP, Herman KM, Aprà E, Xantheas SS. Guest-Host Interactions in Clathrate Hydrates: Benchmark MP2 and CCSD(T)/CBS Binding Energies of CH, CO, and HS in (HO) Cages. The Journal of Physical Chemistry Letters. 7574-7582. PMID 34347487 DOI: 10.1021/acs.jpclett.1c01884   
2021 Yu JM, Nguyen BD, Tsai J, Hernandez DJ, Furche F. Selfconsistent random phase approximation methods. The Journal of Chemical Physics. 155: 040902. PMID 34340391 DOI: 10.1063/5.0056565   
2021 Grotjahn R, Kaupp M. Reliable TDDFT Protocol Based on a Local Hybrid Functional for the Prediction of Vibronic Phosphorescence Spectra Applied to Tris(2,2'-bipyridine)-Metal Complexes. The Journal of Physical Chemistry. A. 125: 7099-7110. PMID 34370482 DOI: 10.1021/acs.jpca.1c05101   
2021 Cao Y, Halls MD, Vadicherla TR, Friesner RA. Pseudospectral implementations of long-range corrected density functional theory. Journal of Computational Chemistry. PMID 34415620 DOI: 10.1002/jcc.26739   
2021 Inui M, Kajihara Y, Hosokawa S, Chiba A, Nakajima Y, Matsuda K, Stellhorn JR, Hagiya T, Ishikawa D, Uchiyama H, Tsutsui S, Baron AQR. Low energy excitation in liquid Sb and liquid Bi observed in inelastic x-ray scattering spectra. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 34438373 DOI: 10.1088/1361-648X/ac216c   
2021 Shang C, Chen J, Xu X, Liu S, Li L, Duo L, Zhang DH. Quantum Wave Packet Study of the H + Br → HBr + Br Reaction on a New Ab Initio Potential Energy Surface. The Journal of Physical Chemistry. A. PMID 34383502 DOI: 10.1021/acs.jpca.1c05867   
2021 Mveme CDD, Nya FT, Ejuh GW, Malloum A, Conradie J, Ndjaka JMB. DFT study of new organic materials based on PEDOT and 4-[2-(2-N, N-dihydroxy amino thiophene) vinyl] benzenamine. Journal of Molecular Modeling. 27: 275. PMID 34476586 DOI: 10.1007/s00894-021-04827-9   
2021 Wang A, Kingsbury R, McDermott M, Horton M, Jain A, Ong SP, Dwaraknath S, Persson KA. A framework for quantifying uncertainty in DFT energy corrections. Scientific Reports. 11: 15496. PMID 34326361 DOI: 10.1038/s41598-021-94550-5   
2021 Lietard A, Verlet JRR, Slimak S, Jordan KD. Temporary Anion Resonances of Pyrene: A 2D Photoelectron Imaging and Computational Study. The Journal of Physical Chemistry. A. PMID 34369146 DOI: 10.1021/acs.jpca.1c05586   
2021 Ahirwar MB, Patkar D, Yadav I, Deshmukh MM. Appraisal of individual hydrogen bond strengths and cooperativity in ammonia clusters via a molecular tailoring approach. Physical Chemistry Chemical Physics : Pccp. 23: 17224-17231. PMID 34369546 DOI: 10.1039/d1cp02839a   
2021 Diaz CM, Basurto L, Adhikari S, Yamamoto Y, Ruzsinszky A, Baruah T, Zope RR. Self-interaction-corrected Kohn-Sham effective potentials using the density-consistent effective potential method. The Journal of Chemical Physics. 155: 064109. PMID 34391355 DOI: 10.1063/5.0056561   
2021 Roy R, Ghosal A, Roy AK. A simple effective ∆SCF method for computing optical gap in organic chromophores. Chemistry, An Asian Journal. PMID 34331415 DOI: 10.1002/asia.202100692   
2021 Kossoski F, Marie A, Scemama A, Caffarel M, Loos PF. Excited States from State-Specific Orbital-Optimized Pair Coupled Cluster. Journal of Chemical Theory and Computation. PMID 34310140 DOI: 10.1021/acs.jctc.1c00348   
2021 Selim T, Christianen A, van der Avoird A, Groenenboom GC. Multi-channel distorted-wave Born approximation for rovibrational transition rates in molecular collisions. The Journal of Chemical Physics. 155: 034105. PMID 34293892 DOI: 10.1063/5.0058576   
2021 Reponen M, de Groote RP, Al Ayoubi L, Beliuskina O, Bissell ML, Campbell P, Cañete L, Cheal B, Chrysalidis K, Delafosse C, de Roubin A, Devlin CS, Eronen T, Garcia Ruiz RF, Geldhof S, et al. Evidence of a sudden increase in the nuclear size of proton-rich silver-96. Nature Communications. 12: 4596. PMID 34321487 DOI: 10.1038/s41467-021-24888-x   
2021 Garcia-Ratés M, Becker U, Neese F. Implicit solvation in domain based pair natural orbital coupled cluster (DLPNO-CCSD) theory. Journal of Computational Chemistry. PMID 34347890 DOI: 10.1002/jcc.26726   
2021 Wang H, Guan Q, Wang X. Theoretical study on pentiptycene molecular brake: photoinduced isomerization and photoinduced electron transfer. Journal of Molecular Modeling. 27: 289. PMID 34536143 DOI: 10.1007/s00894-021-04900-3   
2021 Park JS, Jung J, Lee S. Cost-Effective High-Throughput Calculation Based on Hybrid Density Functional Theory: Application to Cubic, Double, and Vacancy-Ordered Halide Perovskites. The Journal of Physical Chemistry Letters. 7885-7891. PMID 34382798 DOI: 10.1021/acs.jpclett.1c02244   
2021 Sorour MI, Kistler KA, Marcus AH, Matsika S. Accurate Modeling of Excitonic Coupling in Cyanine Dye Cy3. The Journal of Physical Chemistry. A. PMID 34494437 DOI: 10.1021/acs.jpca.1c05556   
2021 Khan IM, Islam M, Shakya S, Alam N, Imtiaz S, Islam MR. Synthesis, spectroscopic characterization, antimicrobial activity, molecular docking and DFT studies of proton transfer (H-bonded) complex of 8-aminoquinoline (donor) with chloranilic acid (acceptor). Journal of Biomolecular Structure & Dynamics. 1-15. PMID 34473009 DOI: 10.1080/07391102.2021.1969280   
2021 Kunze L, Hansen A, Grimme S, Mewes JM. PCM-ROKS for the Description of Charge-Transfer States in Solution: Singlet-Triplet Gaps with Chemical Accuracy from Open-Shell Kohn-Sham Reaction-Field Calculations. The Journal of Physical Chemistry Letters. 12: 8470-8480. PMID 34449230 DOI: 10.1021/acs.jpclett.1c02299   
2021 Bracker M, Marian CM, Kleinschmidt M. Internal conversion of singlet and triplet states employing numerical DFT/MRCI derivative couplings: Implementation, tests, and application to xanthone. The Journal of Chemical Physics. 155: 014102. PMID 34241387 DOI: 10.1063/5.0056182   
2021 Zhanserkeev AA, Talbot JJ, Steele RP. Adiabatic Molecular Orbital Tracking in Molecular Dynamics. Journal of Chemical Theory and Computation. 17: 4675-4685. PMID 34323487 DOI: 10.1021/acs.jctc.1c00553   
2021 Jana S, Behera SK, Śmiga S, Constantin LA, Samal P. Accurate density functional made more versatile. The Journal of Chemical Physics. 155: 024103. PMID 34266258 DOI: 10.1063/5.0051331   
2021 Kennedy IR, Hodzic M. Partitioning Entropy with Action Mechanics: Predicting Chemical Reaction Rates and Gaseous Equilibria of Reactions of Hydrogen from Molecular Properties. Entropy (Basel, Switzerland). 23. PMID 34441196 DOI: 10.3390/e23081056   
2021 Sun HY, Li SX, Jiang H. Pros and cons of the time-dependent hybrid density functional approach for calculating the optical spectra of solids: a case study of CeO. Physical Chemistry Chemical Physics : Pccp. PMID 34312647 DOI: 10.1039/d1cp02049h   
2021 Wing D, Ohad G, Haber JB, Filip MR, Gant SE, Neaton JB, Kronik L. Band gaps of crystalline solids from Wannier-localization-based optimal tuning of a screened range-separated hybrid functional. Proceedings of the National Academy of Sciences of the United States of America. 118. PMID 34417292 DOI: 10.1073/pnas.2104556118   
2021 Sharma MP, Jaffe RL, Panesi M. Carbon Clusters: Thermochemistry and Electronic Structure at High Temperatures. The Journal of Physical Chemistry. A. PMID 34369159 DOI: 10.1021/acs.jpca.1c04619   
2021 King DS, Truhlar DG, Gagliardi L. Machine-Learned Energy Functionals for Multiconfigurational Wave Functions. The Journal of Physical Chemistry Letters. 7761-7767. PMID 34374555 DOI: 10.1021/acs.jpclett.1c02042   
2021 Björnson K, Wills JM, Alouani M, Grånäs O, Thunström P, Ong CS, Eriksson O. Pseudopotentials for Electronic Structure Theory. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 125: 15103-15111. PMID 34295450 DOI: 10.1021/acs.jpcc.1c04791   
2021 Segarra-Martí J, Bearpark MJ. Modelling photoionisation in isocytosine: potential formation of longer-lived excited state cations in its keto form. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 34370368 DOI: 10.1002/cphc.202100402   
2021 Delgado-Aparicio LF, VanMeter P, Barbui T, Chellai O, Wallace J, Yamazaki H, Kojima S, Almagari AF, Hurst NC, Chapman BE, McCollam KJ, Den Hartog DJ, Sarff JS, Reusch LM, Pablant N, et al. Multi-energy reconstructions, central electron temperature measurements, and early detection of the birth and growth of runaway electrons using a versatile soft x-ray pinhole camera at MST. The Review of Scientific Instruments. 92: 073502. PMID 34340413 DOI: 10.1063/5.0043672