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Yasuyuki Ishikawa - Publications

Affiliations: 
Chemistry University of Puerto Rico, Rio Piedras (Puerto Rico) 
Area:
Physical Chemistry
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152 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2014 Beiersdorfer P, Bode MP, Ishikawa Y, Diaz F. L-shell dielectronic satellite transitions of Fe XVII Astrophysical Journal. 793. DOI: 10.1088/0004-637X/793/2/99  0.308
2014 Santana JA, Ishikawa Y, Träbert E. Relativistic MR-MP calculations of the energy levels and transition probabilities in Ni- to Kr-like Pt ions Atomic Data and Nuclear Data Tables. 100: 183-271. DOI: 10.1016/J.Adt.2013.05.001  0.392
2013 Díaz F, Vilkas MJ, Ishikawa Y, Beiersdorfer P. High-accuracy MR-MP perturbation theory energy and radiative rates calculations for core-excited transitions in Fe Astrophysical Journal, Supplement Series. 207. DOI: 10.1088/0067-0049/207/1/11  0.378
2013 Beiersdorfer P, Lepson JK, Díaz F, Ishikawa Y, Träbert E. Measurement and calculation of L-shell transitions in M-shell iron ions Physica Scripta. DOI: 10.1088/0031-8949/2013/T156/014007  0.344
2013 Skachkov D, Rao CV, Ishikawa Y. A Combined First-Principles Molecular Dynamics/Density-Functional Theory Study of Ammonia Electrooxidation on Pt(1 0 0) Electrode Journal of Physical Chemistry C. 117: 25451-25466. DOI: 10.1021/Jp4048874  0.336
2012 Hoshiba Y, Maeda Y, Hamada K, Fukuoka S, Ishikawa Y, Kurita N. A combined Green’s function/density-functional theory study of electrical conducting properties of solvated single molecules tethered to Au electrodes Chemical Physics Letters. 521: 39-44. DOI: 10.1016/J.Cplett.2011.11.060  0.302
2011 Santana JA, López-Encarnación JM, Ishikawa Y. Density-functional theory study of the reaction pathway for methanol demethanation on Nin+ (n = 3,4) Chemical Physics Letters. 508: 242-247. DOI: 10.1016/J.Cplett.2011.03.063  0.322
2010 Träbert E, Clementson J, Beiersdorfer P, Santana JA, Ishikawa Y. Extreme-ultraviolet spectra of highly charged Pt ions with several valence-shell electrons: Observation and accurate calculations Physical Review a - Atomic, Molecular, and Optical Physics. 82. DOI: 10.1103/Physreva.82.062519  0.349
2010 Santana JA, Ishikawa Y. Relativistic R-matrix close-coupling method based on the effective many-body Hamiltonian: electron-impact excitation of electric dipole-allowed and spin-forbidden transitions of the S4 + ion Journal of Physics B. 43: 74030. DOI: 10.1088/0953-4075/43/7/074030  0.324
2010 Santana JA, Mateo JJ, Ishikawa Y. Electrochemical Hydrogen Oxidation on Pt(110): A Combined Direct Molecular Dynamics/Density Functional Theory Study Journal of Physical Chemistry C. 114: 4995-5002. DOI: 10.1021/Jp909834Q  0.335
2010 Santana JA, Ishikawa Y. Interactions between interfacial water and CO adsorbed on Pt and Pt–Ru alloy surfaces under electrochemical conditions: Density-functional theory study Electrochimica Acta. 56: 945-952. DOI: 10.1016/J.Electacta.2010.09.074  0.309
2009 Delgado JC, Ishikawa Y, Selsby RG. The calculated ionization potential and electron affinity of cationic cyanine dyes. Photochemistry and Photobiology. 85: 1286-98. PMID 19706146 DOI: 10.1111/J.1751-1097.2009.00601.X  0.398
2009 Santana JA, Ishikawa Y, Träbert E. Multireference - Møller-Plesset Perturbation Theory Results on Levels and Transition Rates in Al-like Ions of Iron Group Elements Physica Scripta. 79: 65301. DOI: 10.1088/0031-8949/79/06/065301  0.335
2009 Ishikawa Y, Encarnación JML, Träbert E. N=3–3 transitions of Ne-like ions in the iron group, especially Ca10+ and Ti12+ Physica Scripta. 79: 25301. DOI: 10.1088/0031-8949/79/02/025301  0.313
2009 Singhal R, Saavedra-Aries JJ, Katiyar R, Ishikawa Y, Vilkas MJ, Das SR, Tomar MS, Katiyar RS. Spinel LiMn2−xNixO4 cathode materials for high energy density lithium ion rechargeable batteries Journal of Renewable and Sustainable Energy. 1: 023102. DOI: 10.1063/1.3103483  0.342
2009 Sekino H, Ishikawa Y. Relativistic diagrammatic perturbation theory calculations on neon atom International Journal of Quantum Chemistry. 36: 339-344. DOI: 10.1002/Qua.560360837  0.407
2009 Santana JA, Ishikawa Y. Effective collision strengths for electron-impact excitation of transitions within the ground 1s2 2s2 2p4 manifold of O-like Fe18+ International Journal of Quantum Chemistry. 109: 1920-1927. DOI: 10.1002/Qua.22023  0.348
2008 Ishikawa Y, Vilkas MJ. Relativistic many-body calculations of excited-state energies and transition wavelengths for six-valence-electron sulfurlike ions Physical Review A. 78: 42501. DOI: 10.1103/Physreva.78.042501  0.403
2008 Ishikawa Y, Vilkas MJ. Relativistic R -matrix close-coupling method based on the effective many-body Hamiltonian: Benchmarks on the electron-impact excitations of the Kr 6+ ion Physical Review A. 77: 52701. DOI: 10.1103/Physreva.77.052701  0.359
2008 Vilkas MJ, Ishikawa Y, Träbert E. Electric-dipole 5 s − 5 p transitions in promethiumlike ions Physical Review A. 77: 42510. DOI: 10.1103/Physreva.77.042510  0.337
2008 Mateo JJ, Tryk DA, Cabrera CR, Ishikawa Y. Underpotential deposition of hydrogen on Pt(111): A combined direct molecular dynamics/density functional theory study Molecular Simulation. 34: 1065-1072. DOI: 10.1080/08927020802178591  0.326
2008 Komura I, Ishikawa Y, Tsukamoto T, Natsume T, Kurita N. Density-functional calculations of hydrated structures and electronic properties for G–C and A–T base pairs Journal of Molecular Structure-Theochem. 862: 122-129. DOI: 10.1016/J.Theochem.2008.05.007  0.339
2008 Vilkas MJ, Ishikawa Y, Träbert E. Relativistic many-body Moller-Plesset perturbation theory calculations of the energy levels and transition rates in Na-like to P-like Xe ions Atomic Data and Nuclear Data Tables. 94: 650-700. DOI: 10.1016/J.Adt.2008.03.001  0.399
2008 Vilkas MJ, López-Encarnación JM, Ishikawa Y. Relativistic multireference Møller–Plesset perturbation theory calculations of the energy levels and transition probabilities in Ne-like xenon, tungsten, and uranium ions Atomic Data and Nuclear Data Tables. 94: 50-70. DOI: 10.1016/J.Adt.2007.09.001  0.41
2007 Dedachi KI, Natsume T, Nakatsu T, Tanaka S, Ishikawa Y, Kurita N. Charge Transfer Through Single- and Double-strand DNAs: Simulations Based on Molecular Dynamics and Molecular Orbital Methods. Chemical Physics Letters. 436: 244-251. PMID 19587841 DOI: 10.1016/J.Cplett.2007.01.045  0.302
2007 Tsukamoto T, Ishikawa Y, Natsume T, Dedachi K, Kurita N. A combined molecular dynamics/density-functional theoretical study on the structure and electronic properties of hydrating water molecules in the minor groove of decameric DNA duplex. Chemical Physics Letters. 441: 136-142. PMID 19587836 DOI: 10.1016/J.Cplett.2007.05.009  0.318
2007 Infante I, Eliav E, Vilkas MJ, Ishikawa Y, Kaldor U, Visscher L. A Fock space coupled cluster study on the electronic structure of the UO(2), UO(2) (+), U(4+), and U(5+) species. The Journal of Chemical Physics. 127: 124308. PMID 17902904 DOI: 10.1063/1.2770699  0.384
2007 Borschevsky A, Eliav E, Vilkas MJ, Ishikawa Y, Kaldor U. Transition energies of atomic lawrencium European Physical Journal D. 45: 115-119. DOI: 10.1140/Epjd/E2007-00130-9  0.385
2007 Vilkas MJ, Ishikawa Y, Träbert E. Relativistic multireference many-body perturbation theory calculations on Au64+ - Au69+ ions European Physical Journal D. 41: 77-93. DOI: 10.1140/Epjd/E2006-00214-0  0.369
2007 Vilkas MJ, Ishikawa Y. Relativistic R -matrix close-coupling method based on the effective Hamiltonian in many-body perturbation theory Physical Review A. 75: 62508. DOI: 10.1103/Physreva.75.062508  0.32
2007 Ishikawa Y, McQuaid MJ. Reactions of NO2 with CH3NHNH and CH3NNH2: A direct molecular dynamics study Journal of Molecular Structure: Theochem. 818: 119-124. DOI: 10.1016/J.Theochem.2007.05.014  0.322
2007 Ishikawa Y, Mateo JJ, Tryk DA, Cabrera CR. Direct molecular dynamics and density-functional theoretical study of the electrochemical hydrogen oxidation reaction and underpotential deposition of H on Pt(1 1 1) Journal of Electroanalytical Chemistry. 607: 37-46. DOI: 10.1016/J.Jelechem.2006.10.011  0.318
2007 Yanai T, Harrison RJ, Nakajima T, Ishikawa Y, Hirao K. New implementation of molecular double point-group symmetry in four-component relativistic Gaussian-type spinors International Journal of Quantum Chemistry. 107: 1382-1389. DOI: 10.1002/Qua.21266  0.366
2006 Tsukamoto T, Ishikawa Y, Natsume T, Dedachi K, Vilkas MJ, Kurita N. 密度汎関数法による水和したＤｎａの電子状態解析： Ｄｎａ副溝内の水和水がＨｏｍｏに与える影響:Dna副溝内の水和水がHomoに与える影響 Journal of Computer Aided Chemistry. 7: 190-200. DOI: 10.2751/Jcac.7.190  0.373
2006 Borschevsky A, Eliav E, Ishikawa Y, Kaldor U. Atomic transition energies and the variation of the fine-structure constant α Physical Review A. 74: 62505. DOI: 10.1103/Physreva.74.062505  0.37
2006 Vilkas MJ, Ishikawa Y, Träbert E. Relativistic multireference many-body perturbation theory calculations on F-, Ne-, Na-, Mg-, Al-, Si- and P-like xenon ions Journal of Physics B. 39: 2195-2216. DOI: 10.1088/0953-4075/39/9/008  0.351
2006 Koren T, Eliav E, Ishikawa Y, Kaldor U. Intermediate Hamiltonian coupled cluster methods: meV accuracy for alkaline earth transition energies Journal of Molecular Structure-Theochem. 768: 127-132. DOI: 10.1016/J.Theochem.2006.05.046  0.377
2006 Natsume T, Ishikawa Y, Dedachi K, Kurita N. Density-functional calculations on DNA–DNA, PNA–DNA and PNA–PNA double strands Chemical Physics Letters. 418: 239-244. DOI: 10.1016/J.Cplett.2005.10.144  0.377
2005 Eliav E, Vilkas MJ, Ishikawa Y, Kaldor U. Extrapolated intermediate Hamiltonian coupled-cluster approach: theory and pilot application to electron affinities of alkali atoms. The Journal of Chemical Physics. 122: 224113. PMID 15974657 DOI: 10.1063/1.1929727  0.354
2005 Vilkas MJ, Ishikawa Y, Träbert E. Relativistic Many-Body Perturbation Calculations of Boron-Like Silicon, Si X Physica Scripta. 72: 181-199. DOI: 10.1238/Physica.Regular.072A00181  0.323
2005 Vilkas MJ, Ishikawa Y. Relativistic multireference many-body perturbation calculations on multi-valence-electron systems: Benchmarks on Zn-like ions Physical Review A. 72: 32512. DOI: 10.1103/Physreva.72.032512  0.382
2005 Eliav E, Vilkas MJ, Ishikawa Y, Kaldor U. Ionization potentials of alkali atoms: towards meV accuracy Chemical Physics. 311: 163-168. DOI: 10.1016/J.Chemphys.2004.09.025  0.368
2004 Landau A, Eliav E, Ishikawa Y, Kaldor U. Mixed-sector intermediate Hamiltonian Fock-space coupled cluster approach. The Journal of Chemical Physics. 121: 6634-9. PMID 15473718 DOI: 10.1063/1.1788652  0.344
2004 Singh SP, Tomar M, Ishikawa Y, Majumder SB, Katiyar RS. Density-Functional Theoretical Study on the Intercalation Properties of Layered LiMO 2 (M = Zr, Nb, Rh, Mo, and Ru) Mrs Proceedings. 835. DOI: 10.1557/Proc-835-K6.3  0.315
2004 Vilkas MJ, Ishikawa Y. Relativistic many-body perturbation calculations on extreme ultraviolet and soft-x-ray transition energies in siliconlike iron Physical Review A. 69: 62503. DOI: 10.1103/Physreva.69.062503  0.349
2004 Vilkas MJ, Ishikawa Y. High-accuracy calculations of term energies and lifetimes of silicon-like ions with nuclear charges Z = 24–30 Journal of Physics B. 37: 1803-1816. DOI: 10.1088/0953-4075/37/9/003  0.389
2004 Vilkas MJ, Ishikawa Y. Relativistic multireference many-body perturbation theory calculations on ions of the phosphorus isoelectronic sequence Journal of Physics B. 37: 4763-4778. DOI: 10.1088/0953-4075/37/24/004  0.389
2004 Crespo-Hernández CE, Arce R, Ishikawa Y, Gorb L, Leszczynski J, Close DM. Ab Initio Ionization Energy Thresholds of DNA and RNA Bases in Gas Phase and in Aqueous Solution The Journal of Physical Chemistry A. 108: 6373-6377. DOI: 10.1021/Jp049270K  0.306
2004 Ishikawa Y, Yilmaz H, Yanai T, Nakajima T, Hirao K. Direct ab initio molecular dynamics study of CH3++Benzene Chemical Physics Letters. 396: 16-20. DOI: 10.1016/J.Cplett.2004.07.104  0.31
2003 Vilkas MJ, Ishikawa Y. Relativistic multireference many-body perturbation-theory calculations on the multiple openshell states in siliconlike Ar and aluminumlike Fe ions Physical Review A. 68: 12503. DOI: 10.1103/Physreva.68.012503  0.371
2003 Vilkas MJ, Ishikawa Y. Relativistic multireference many-body perturbation theory calculations for siliconlike argon, iron and krypton ions Journal of Physics B. 36: 4641-4650. DOI: 10.1088/0953-4075/36/23/004  0.355
2003 Ishikawa Y, Ikegami T, Binning RC. Direct ab initio molecular dynamics study of C++H2O: angular distribution of products and distribution of product kinetic energies Chemical Physics Letters. 370: 490-495. DOI: 10.1016/S0009-2614(03)00079-4  0.329
2002 Ishikawa Y, Vilkas MJ. Relativistic multireference Møller-Plesset perturbation theory calculations on the term energy and lifetime of the 5So2 state in siliconlike ions with Z = 28-79 Physica Scripta. 65: 219-226. DOI: 10.1238/Physica.Regular.065A00219  0.352
2002 Eliav E, Landau A, Ishikawa Y, Kaldor U. Electronic structure of eka-thorium (element 122) compared with thorium Journal of Physics B: Atomic, Molecular and Optical Physics. 35: 1693-1700. DOI: 10.1088/0953-4075/35/7/307  0.377
2002 Ishikawa Y, Nakajima T, Yanai T, Hirao K. Ab initio direct molecular dynamics study of the fragmentation of F(H2O) complex generated by photodetachment of F−(H2O) anion complex Chemical Physics Letters. 363: 458-464. DOI: 10.1016/S0009-2614(02)01207-1  0.306
2002 Kurita N, Ikegami T, Ishikawa Y. Ab initio study of the minimum-energy structure of trans-azobenzene Chemical Physics Letters. 360: 349-354. DOI: 10.1016/S0009-2614(02)00854-0  0.352
2002 Ishikawa Y, Binning RC. Ab initio direct molecular dynamics study of ClONO2+H3O+ Chemical Physics Letters. 358: 509-515. DOI: 10.1016/S0009-2614(02)00643-7  0.338
2002 Ishikawa Y, Vilkas MJ. Energy levels of the 4s24p2 states of germanium and germaniumlike ions International Journal of Quantum Chemistry. 90: 410-418. DOI: 10.1002/Qua.10107  0.384
2001 Ishikawa Y, Vilkas MJ. Relativistic multireference many-body perturbation-theory calculations of the magnetic-dipole and electric-quadrupole transition probabilities of ions in the silicon isoelectronic sequence Physical Review A. 63: 42506. DOI: 10.1103/Physreva.63.042506  0.335
2001 Yanai T, Iikura H, Nakajima T, Ishikawa Y, Hirao K. A new implementation of four-component relativistic density functional method for heavy-atom polyatomic systems Journal of Chemical Physics. 115: 8267-8273. DOI: 10.1063/1.1412252  0.38
2001 Landau A, Eliav E, Ishikawa Y, Kaldor U. Intermediate Hamiltonian Fock-space coupled cluster method in the one-hole one-particle sector: Excitation energies of xenon and radon Journal of Chemical Physics. 115: 6862-6865. DOI: 10.1063/1.1405005  0.358
2001 Landau A, Eliav E, Ishikawa Y, Kaldor U. Benchmark calculations of electron affinities of the alkali atoms sodium to eka-francium (element 119) Journal of Chemical Physics. 115: 2389-2392. DOI: 10.1063/1.1386413  0.365
2001 Yanai T, Nakajima T, Ishikawa Y, Hirao K. A new computational scheme for the Dirac–Hartree–Fock method employing an efficient integral algorithm Journal of Chemical Physics. 114: 6526-6538. DOI: 10.1063/1.1356012  0.353
2001 Landau A, Eliav E, Ishikawa Y, Kaldor U. Electronic structure of eka-lead (element 114) compared with lead Journal of Chemical Physics. 114: 2977-2980. DOI: 10.1063/1.1342763  0.375
2001 Vilkas MJ, Ishikawa Y. Relativistic multireference Møller-Plesset perturbation theory calculations for the term energies and transition probabilities of ions in the nitrogen isoelectronic sequence Advances in Quantum Chemistry. 39: 261-293. DOI: 10.1016/S0065-3276(05)39016-2  0.387
2001 Ishikawa Y, Binning RC, Ikegami T. Direct ab initio molecular dynamics study of C++H2O Chemical Physics Letters. 343: 413-419. DOI: 10.1016/S0009-2614(01)00694-7  0.303
2001 Ishikawa Y, Binning RC. Direct ab initio molecular dynamics study of the protonation of nitric acid Chemical Physics Letters. 338: 353-360. DOI: 10.1016/S0009-2614(01)00261-5  0.336
2001 Ishikawa Y, Sugita Y, Nishikawa T, Okamoto Y. Ab initio replica-exchange Monte Carlo method for cluster studies Chemical Physics Letters. 333: 199-206. DOI: 10.1016/S0009-2614(00)01342-7  0.36
2000 Landau A, Eliav E, Ishikawa Y, Kaldor U. Intermediate Hamiltonian Fock-space coupled-cluster method: Excitation energies of barium and radium Journal of Chemical Physics. 113: 9905-9910. DOI: 10.1063/1.1323258  0.32
2000 Ishikawa Y, Gong Y, Weiner BR. Gaussian-2 theoretical and direct ab initio molecular dynamics study of the reaction of O(3P) with thiirane, O(3P) + C2H4S(1A1) → SO(3Σ-) + C2H4(1A(g)) Physical Chemistry Chemical Physics. 2: 869-876. DOI: 10.1039/A907976I  0.351
2000 Binning JaRC, Ishikawa Y. Structures of NO2+(H2O)n and (HNO3)(H3O+)(H2O)n-2 (n = 2−4) Clusters Journal of Physical Chemistry A. 104: 8097-8104. DOI: 10.1021/Jp0010987  0.305
2000 Quiñones E, Ishikawa Y, Leszczynski J. Conformational properties of dimethylaminobenzonitrile in gas phase and polar solvents: ab initio HF/6-31G(d,p) and MP2/6-31G(d,p) investigations Journal of Molecular Structure: Theochem. 529: 127-134. DOI: 10.1016/S0166-1280(00)00539-X  0.323
2000 Liao MS, Cabrera CR, Ishikawa Y. Theoretical study of CO adsorption on Pt, Ru and Pt-M (M = Ru, Sn, Ge) clusters Surface Science. 445: 267-282. DOI: 10.1016/S0039-6028(99)01075-4  0.35
2000 Ishikawa Y, Liao MS, Cabrera CR. Oxidation of methanol on platinum, ruthenium and mixed Pt-M metals (M = Ru, Sn): A theoretical study Surface Science. 463: 66-80. DOI: 10.1016/S0039-6028(00)00600-2  0.314
2000 Vilkas MJ, Ishikawa Y, Hirao K. Ionization energies and fine structure splittings of highly correlated systems: Zn, zinc-like ions and copper-like ions Chemical Physics Letters. 321: 243-252. DOI: 10.1016/S0009-2614(00)00361-4  0.376
2000 Bacelo DE, Ishikawa Y. Theoretical study of microscopic solvation of LiCl in water clusters: LiCl(H2O)n (n=1–4) Chemical Physics Letters. 319: 679-686. DOI: 10.1016/S0009-2614(00)00169-X  0.352
2000 Binning RC, Liao, Cabrera CR, Ishikawa Y, Iddir H, Liu R, Smotkin ES, Aldykiewicz AJ, Myers DJ. Density functional calculations on CO attached to Pt{sub n}Ru{sub (10{minus}n)} (n = 6--10) clusters International Journal of Quantum Chemistry. 77. DOI: 10.1002/(Sici)1097-461X(2000)77:2<589::Aid-Qua11>3.3.Co;2-5  0.329
2000 Binning RC, Liao M, Cabrera CR, Ishikawa Y, Iddir H, Liu R, Smotkin ES, Aldykiewicz AJ, Myers DJ. Density functional calculations on CO attached to PtnRu(10−n) (n = 6–10) clusters International Journal of Quantum Chemistry. 77: 589-598. DOI: 10.1002/(Sici)1097-461X(2000)77:2<589::Aid-Qua11>3.0.Co;2-E  0.312
2000 Ishikawa Y, Vilkas MJ, Koc K. Relativistic multireference Mller-Plesset perturbation theory calculations for siliconlike ions International Journal of Quantum Chemistry. 77: 433-445. DOI: 10.1002/(Sici)1097-461X(2000)77:1<433::Aid-Qua43>3.0.Co;2-S  0.39
1999 Vilkas MJ, Ishikawa Y, Koc K. Relativistic multireference many-body perturbation theory for quasidegenerate systems: Energy levels of ions of the oxygen isoelectronic sequence Physical Review A. 60: 2808-2821. DOI: 10.1103/Physreva.60.2808  0.4
1999 Bacelo DE, Binning RC, Ishikawa Y. Ab Initio Monte Carlo Simulated Annealing Study Of Hcl(H2O)N (N = 3, 4) Clusters Journal of Physical Chemistry A. 103: 4631-4640. DOI: 10.1021/Jp9843003  0.354
1999 Ishikawa Y, Binning RC, Shramek NS. Direct ab initio molecular dynamics study of NO2++(H2O)4→HNO3(H7O3+) Chemical Physics Letters. 313: 341-350. DOI: 10.1016/S0009-2614(99)00790-3  0.311
1999 Hada M, Ishikawa Y, Nakatani J, Nakatsuji H. Dirac–Fock calculations of magnetic shielding constants: hydrogen molecule and hydrogen halides Chemical Physics Letters. 310: 342-346. DOI: 10.1016/S0009-2614(99)00780-0  0.344
1998 Vilkas MJ, Ishikawa Y, Koc K. Quadratically convergent multiconfiguration Dirac-Fock and multireference relativistic configuration-interaction calculations for many-electron systems Physical Review E. 58: 5096-5110. DOI: 10.1103/Physreve.58.5096  0.35
1998 Malli GL, Ishikawa Y. The generator coordinate Dirac–Fock method for open-shell atomic systems The Journal of Chemical Physics. 109: 8759-8763. DOI: 10.1063/1.477545  0.373
1998 Eliav E, Shmulyian S, Kaldor U, Ishikawa Y. Transition energies of lanthanum, actinium, and eka-actinium (element 121) Journal of Chemical Physics. 109: 3954-3958. DOI: 10.1063/1.476995  0.388
1998 Bacelo D, Ishikawa Y. Comparison of density functional and MP2 geometry optimizations of Na(H2O)n (n = 1–3) clusters Journal of Molecular Structure-Theochem. 425: 87-94. DOI: 10.1016/S0166-1280(97)00132-2  0.395
1998 Vilkas MJ, Koc K, Ishikawa Y. Relativistic multireference Møller–Plesset perturbation theory based on multiconfigurational Dirac–Fock reference functions Chemical Physics Letters. 296: 68-76. DOI: 10.1016/S0009-2614(98)00983-X  0.375
1998 Ishikawa Y, Nakajima T, Hada M, Nakatsuji H. Relativistic theory of the magnetic shielding constant:: a Dirac–Fock finite perturbation study Chemical Physics Letters. 283: 119-124. DOI: 10.1016/S0009-2614(97)01307-9  0.368
1998 Vilkas MJ, Ishikawa Y, Koc K. Second‐order multiconfigurational Dirac–Fock calculations on boronlike ions International Journal of Quantum Chemistry. 70: 813-823. DOI: 10.1002/(Sici)1097-461X(1998)70:4/5<813::Aid-Qua28>3.0.Co;2-0  0.369
1997 Eliav E, Ishikawa Y, Pyykkö P, Kaldor U. Electron affinities of boron, aluminum, gallium, indium, and thallium Physical Review A. 56: 4532-4536. DOI: 10.1103/Physreva.56.4532  0.343
1997 Ishikawa Y, Koc K. Relativistic many-body perturbation calculations for open-shell systems Physical Review A. 56: 1295-1304. DOI: 10.1103/Physreva.56.1295  0.436
1997 Ravichandran K, Ayala I, Ishikawa Y, Weiner BR. Bimolecular reaction dynamics of thiophosgene with O(3P) atoms Journal of Physical Chemistry A. 101: 8587-8592. DOI: 10.1021/Jp9718820  0.342
1997 Ishikawa Y, Koc K, Schwarz WHE. The use of Gaussian spinors in relativistic electronic structure calculations: the effect of the boundary of the finite nucleus of uniform proton charge distribution Chemical Physics. 225: 239-246. DOI: 10.1016/S0301-0104(97)00267-X  0.355
1997 Vilkas MJ, Koc K, Ishikawa Y. Second-order multiconfigurational Dirac–Fock self-consistent field and multireference configuration interaction calculations on beryllium and beryllium-like Ne6+ Chemical Physics Letters. 280: 167-176. DOI: 10.1016/S0009-2614(97)01050-6  0.349
1997 Bacelo DE, Huang SD, Ishikawa Y. The Au(I)Au(I) interaction: Hartree-Fock and Møller-Plesset second-order perturbation theory calculations on [Se5Au2]2− and [Se6Au2]2− complexes Chemical Physics Letters. 277: 215-222. DOI: 10.1016/S0009-2614(97)00914-7  0.386
1997 Ishikawa Y, Koc K. Relativistic many‐body perturbation calculations for Zn and Cd and their singly ionized ions International Journal of Quantum Chemistry. 65: 545-554. DOI: 10.1002/(Sici)1097-461X(1997)65:5<545::Aid-Qua19>3.0.Co;2-1  0.302
1996 Eliav E, Kaldor U, Ishikawa Y, Pyykkö P. Element 118: The First Rare Gas with an Electron Affinity. Physical Review Letters. 77: 5350-5352. PMID 10062781 DOI: 10.1103/Physrevlett.77.5350  0.348
1996 Ishikawa Y, Koc K. Relativistic many-body perturbation theory for general open-shell multiplet states of atoms. Physical Review. A. 53: 3966-3973. PMID 9913359 DOI: 10.1103/Physreva.53.3966  0.35
1996 Eliav E, Kaldor U, Ishikawa Y, Seth M, Pyykkö P. Calculated energy levels of thallium and eka-thallium (element 113). Physical Review A. 53: 3926-3933. PMID 9913354 DOI: 10.1103/Physreva.53.3926  0.393
1996 Eliav E, Kaldor U, Ishikawa Y. Transition energies of barium and radium by the relativistic coupled-cluster method Physical Review A. 53: 3050-3056. PMID 9913242 DOI: 10.1103/Physreva.53.3050  0.364
1996 Muñoz LA, Weiner BR, Ishikawa Y. Conformational potential energy surface of the FSO radical and its isomer FOS in the ground 2A″ state Journal of Molecular Structure: Theochem. 388: 1-6. DOI: 10.1016/S0166-1280(96)80012-1  0.376
1996 Koc K, Ishikawa Y, Kagawa T, Kim Y. Relativistic modification of asymptotic configuration interaction in the carbon isoelectronic sequence Chemical Physics Letters. 263: 338-344. DOI: 10.1016/S0009-2614(96)01174-8  0.35
1995 Eliav E, Kaldor U, Ishikawa Y. Transition energies of mercury and ekamercury (element 112) by the relativistic coupled-cluster method Physical Review A. 52: 2765-2769. PMID 9912557 DOI: 10.1103/Physreva.52.2765  0.375
1995 Eliav E, Kaldor U, Ishikawa Y. Relativistic coupled-cluster method: Intrashell excitations in the f2 shells of Pr+3 and U+4. Physical Review A. 51: 225-230. PMID 9911577 DOI: 10.1103/Physreva.51.225  0.321
1995 Ishikawa Y, Binning RC, Sekino H. Stable structures of Na(H2O)n (n = 1–3) clusters by ab initio simulated annealing International Journal of Quantum Chemistry. 56: 669-674. DOI: 10.1002/Qua.560560873  0.368
1994 Ishikawa Y, Koc K. Relativistic many-body perturbation theory based on the no-pair Dirac-Coulomb-Breit Hamiltonian: Relativistic correlation energies for the noble-gas sequence through Rn (Z=86), the group-IIB atoms through Hg, and the ions of Ne isoelectronic sequence. Physical Review. A. 50: 4733-4742. PMID 9911470 DOI: 10.1103/Physreva.50.4733  0.389
1994 Eliav E, Kaldor U, Ishikawa Y. Ionization potentials and excitation energies of the alkali-metal atoms by the relativistic coupled-cluster method. Physical Review A. 50: 1121-1128. PMID 9911001 DOI: 10.1103/Physreva.50.1121  0.412
1994 Eliav E, Kaldor U, Ishikawa Y. Open-shell relativistic coupled-cluster method with Dirac-Fock-Breit wave functions: Energies of the gold atom and its cation. Physical Review A. 49: 1724-1729. PMID 9910422 DOI: 10.1103/Physreva.49.1724  0.411
1994 Koc K, Ishikawa Y. Single-Fock-operator method for matrix Dirac-Fock self-consistent-field calculations on open-shell atoms. Physical Review. A. 49: 794-798. PMID 9910302 DOI: 10.1103/Physreva.49.794  0.339
1994 Malli GL, Da Silva ABF, Ishikawa Y. Highly accurate relativistic universal Gaussian basis set: Dirac–Fock–Coulomb calculations for atomic systems up to nobelium The Journal of Chemical Physics. 101: 6829-6833. DOI: 10.1063/1.468311  0.413
1994 Koc K, Ishikawa Y, Kagawa T. Relativistic Configuration Interaction Calculations For Open-Shell Atomic Systems Chemical Physics Letters. 231: 407-413. DOI: 10.1016/0009-2614(94)01289-X  0.376
1994 Eliav E, Kaldor U, Ishikawa Y. Relativistic coupled cluster method based on Dirac—Coulomb—Breit wavefunctions. Ground state energies of atoms with two to five electrons Chemical Physics Letters. 222: 82-87. DOI: 10.1016/0009-2614(94)00317-3  0.435
1994 Keshari V, Ishikawa Y. Ab initio Monte Carlo simulated annealing method Chemical Physics Letters. 218: 406-412. DOI: 10.1016/0009-2614(94)00025-5  0.316
1994 Keshari V, Ishikawa Y. First-Principles Monte Carlo simulated annealing study of the structures and properties of hydrogenated lithium clusters International Journal of Quantum Chemistry. 52: 541-551. DOI: 10.1002/Qua.560520848  0.32
1994 Eliav E, Kaldor U, Ishikawa Y. Relativistic coupled cluster theory based on the no-pair dirac–coulomb–breit hamiltonian: Relativistic pair correlation energies of the xe atom International Journal of Quantum Chemistry. 52: 205-214. DOI: 10.1002/Qua.560520821  0.382
1993 Ishikawa Y, Quiney HM. Relativistic many-body perturbation-theory calculations based on Dirac-Fock-Breit wave functions. Physical Review A. 47: 1732-1739. PMID 9909124 DOI: 10.1103/Physreva.47.1732  0.386
1993 Malli GL, Da Silva AB, Ishikawa Y. Universal Gaussian basis set for accurate ab initio /P relat ivistic Dirac-Fock calculations. Physical Review. A. 47: 143-146. PMID 9908905 DOI: 10.1103/Physreva.47.143  0.427
1993 Silva AD, Malli G, Ishikawa Y. Accurate ab initio relativistic Dirac–Fock–Coulomb calculations on heavy atoms using universal Gaussian basis set Canadian Journal of Chemistry. 71: 1713-1715. DOI: 10.1139/V93-213  0.411
1993 Ishikawa Y. Ab initio study of the structure and ionization potential of aluminum-sodium bimetallic cluster, Al2Na Chemical Physics Letters. 213: 527-530. DOI: 10.1016/0009-2614(93)89154-A  0.364
1993 Da Silva A, Malli G, Ishikawa Y. Relativistic universal Gaussian basis set for Dirac—Fock—Coulomb and Dirac—Fock—Breit SCF calculations on heavy atoms Chemical Physics Letters. 203: 201-204. DOI: 10.1016/0009-2614(93)85387-4  0.411
1993 Malli G, Da Silva A, Ishikawa Y. Universal Gaussian basis set for relativistic calculations on atoms and molecules Chemical Physics Letters. 201: 37-40. DOI: 10.1016/0009-2614(93)85030-R  0.432
1992 Malli GL, Silva ABFD, Ishikawa Y. Universal Gaussian basis functions in relativistic quantum chemistry: atomic Dirac–Fock–Coulomb and Dirac–Fock–Breit calculations Canadian Journal of Chemistry. 70: 1822-1826. DOI: 10.1139/V92-225  0.417
1992 Ishikawa Y. Relativistic many-body perturbation theory using discrete basis expansion method: accurate representation of second-order energy of Xe atom with contracted well-tempered Gaussian basis set Canadian Journal of Chemistry. 70: 399-403. DOI: 10.1139/V92-057  0.408
1992 Ishikawa Y, Malli GL, Pyper N. Ab initio Dirac—Fock self-consistent field calculations for open-shell heavy-atom systems: bonding in AuH+ ion Chemical Physics Letters. 194: 481-484. DOI: 10.1016/0009-2614(92)86087-X  0.39
1992 Ishikawa Y, Malli GL, Jim Stacey A. Matrix Dirac—Fock—Breit SCF calculations on heavy atoms using geometric basis sets of Gaussian functions Chemical Physics Letters. 188: 145-148. DOI: 10.1016/0009-2614(92)85104-I  0.398
1992 Ishikawa Y. Relativistic many‐body perturbation theory using the discrete basis expansion method: Analysis of relativistic pair correlation energies of the Xe atom International Journal of Quantum Chemistry. 44: 127-135. DOI: 10.1002/Qua.560440812  0.411
1991 Ishikawa Y, Quiney HM, Malli GL. Dirac-Fock-Breit self-consistent-field method: Gaussian basis-set calculations on many-electron atoms Physical Review A. 43: 3270-3278. PMID 9905409 DOI: 10.1103/Physreva.43.3270  0.361
1991 Koga T, Horiguchi T, Ishikawa Y. One-electron diatomics in momentum space. VII. Nonvariational approach to ground and excited states of heteronuclear systems Journal of Chemical Physics. 95: 1086-1089. DOI: 10.1063/1.461137  0.324
1991 Ishikawa Y. Relativistic many-body perturbation-theory calculations on Kr: accurate representation of second- and third-order energies with contracted Gaussian basis set Chemical Physics Letters. 179: 291-296. DOI: 10.1016/0009-2614(91)87040-I  0.394
1991 Ishikawa Y. Effects of basis set contraction on relativistic and Breit interaction energies International Journal of Quantum Chemistry. 40: 113-120. DOI: 10.1002/Qua.560400814  0.414
1990 Ishikawa Y. Relativistic Dirac-Fock and many-body perturbation calculations on He, He-like ions, Ne, and Ar Physical Review A. 42: 1142-1150. DOI: 10.1103/Physreva.42.1142  0.368
1990 Ishikawa Y, Sekino H. Variational bounds in dirac—fock basis set expansion calculations Chemical Physics Letters. 165: 243-249. DOI: 10.1016/0009-2614(90)85437-H  0.379
1990 Ishikawa Y, Sekino H, Binning RC. Effects of basis set contraction in relativistic calculations on neon, argon, and germanium Chemical Physics Letters. 165: 237-242. DOI: 10.1016/0009-2614(90)85436-G  0.42
1990 Ishikawa Y. Dirac-Fock Gaussian basis calculations: Inclusion of the Breit interaction in the self-consistent field procedure Chemical Physics Letters. 166: 321-325. DOI: 10.1016/0009-2614(90)80037-E  0.403
1990 Ishikawa Y. Atomic Dirac–Fock–Breit self-consistent field calculations International Journal of Quantum Chemistry. 38: 383-391. DOI: 10.1002/Qua.560382438  0.382
1989 Ishikawa Y, Sekino H, Binning RC. Relativistic many-body perturbation theory calculations on Be, Ne6+, Ar14+ AND Ne Chemical Physics Letters. 160: 206-211. DOI: 10.1016/0009-2614(89)87583-9  0.398
1988 Ishikawa Y, Rodríguez W, Torres S, Alexander SA. Solving the Dirac equation in momentum space: A numerical study of H2+ Chemical Physics Letters. 143: 289-292. DOI: 10.1016/0009-2614(88)87382-2  0.317
1988 Ishikawa Y, Sekino H. On the use of gaussian‐type functions in dirac–fock basis set expansion calculations International Journal of Quantum Chemistry. 34: 457-463. DOI: 10.1002/Qua.560340849  0.399
1988 Rodríguez W, Ishikawa Y. Fully numerical solutions of the hartree‐fock equation in momentum space: A numerical study of the He atom and H +2 ion International Journal of Quantum Chemistry. 34: 445-456. DOI: 10.1002/Qua.560340848  0.358
1987 Ishikawa Y, Quiney HM. On the use of an extended nucleus in Dirac–Fock Gaussian basis set calculations International Journal of Quantum Chemistry. 32: 523-532. DOI: 10.1002/Qua.560320751  0.313
1987 Ishikawa Y, Rodriguez W, Alexander SA. Solution of the integral Dirac equation in momentum space International Journal of Quantum Chemistry. 32: 417-423. DOI: 10.1002/Qua.560320741  0.303
1987 Ishikawa Y, Baretty R, Binning RC. Gaussian basis for the Dirac‐Fock discrete basis expansion calculations International Journal of Quantum Chemistry. 28: 285-295. DOI: 10.1002/Qua.560280828  0.361
1986 Baretty R, Ishikawa Y, Nieves JF. Momentum space approach to the relativistic atomic structure calculations International Journal of Quantum Chemistry. 30: 109-117. DOI: 10.1002/Qua.560300713  0.308
1985 Ishikawa Y, Baretty R, Binning RC. Relativistic Gaussian basis set calculations on one-electron ions with a nucleus of finite extent Chemical Physics Letters. 121: 130-133. DOI: 10.1016/0009-2614(85)87169-4  0.374
1985 Ishikawa Y, Baretty R, Sando KM. Expansion calculations with the dirac Hamiltonian: 1S12 and 2P12 states of hydrogenic systems Chemical Physics Letters. 117: 444-450. DOI: 10.1016/0009-2614(85)80280-3  0.338
1984 Ishikawa Y, Binning RC, Sando KM. Features of the energy surface in Dirac-Fock discrete basis description as applied to the Be atom Chemical Physics Letters. 105: 189-193. DOI: 10.1016/0009-2614(84)85647-X  0.365
1984 Ishikawa Y. Basis‐set expansion calculations with the Dirac Hamiltonian International Journal of Quantum Chemistry. 26: 375-383. DOI: 10.1002/Qua.560260835  0.37
1983 Ishikawa Y, Binning RC, Sando KM. Dirac-Fock discrete-basis calculations on the beryllium atom Chemical Physics Letters. 101: 111-114. DOI: 10.1016/0009-2614(83)80314-5  0.428
1981 Ishikawa Y, Malli G. Effective core potentials for fully relativistic Dirac–Fock calculations The Journal of Chemical Physics. 75: 5423-5431. DOI: 10.1063/1.441943  0.406
1981 Davidson ER, Ishikawa Y, Malli GL. Validity of first-order perturbation theory for relativistic energy corrections Chemical Physics Letters. 84: 226-227. DOI: 10.1016/0009-2614(81)80331-4  0.345
1981 Ishikawa Y, Malli G. Effective hamiltonian in the Dirac-Fock-Roothaan SCF theory Chemical Physics Letters. 80: 111-113. DOI: 10.1016/0009-2614(81)80068-1  0.398
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