Columbus-a program system for advanced multireference theory calculations von Lischka, Hans, Müller, Thomas, Szalay, Péter G., Shavitt, Isaiah, Pitzer, Russell M., Shepard, Ron

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High-level multireference methods in the quantum-chemistry program system COLUMBUS : Analytic MR-CISD and MR-AQCC gradients and MR-AQCC-LRT for excited states, GUGA spin-orbit CI a... von LISCHKA, Hans, SHEPARD, Ron, ZHIYONG ZHANG, PITZER, Russell M, SHAVITT, Isaiah, DALLOS, Michal, MÜLLER, Thomas, SZALAY, Péter G, SETH, Michael, KEDZIORA, Gary S, YABUSHITA, Satoshi

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Electronic Spectrum of the UO and UO+ Molecules von Tyagi, Rajni, Zhang, Zhiyong, Pitzer, Russell M

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Early Experiences with Computational Quantum Chemistry von Pitzer, Russell M

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Autobiography of Russell M. Pitzer von Pitzer, Russell M

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Relativistic and correlation effects for element 105 (hahnium, Ha): a comparative study of M and MO (M = Nb, Ta, Ha) using energy-adjusted ab initio pseudopotentials von Dolg, Michael, Stoll, Hermann, Preuss, Heinzwerner, Pitzer, Russell M

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Theoretical Investigations of the Time-Resolved Photodissociation Dynamics of IBr von Horvath, Samantha, Pitzer, Russell M, McCoy, Anne B

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Actinyl Ions in Cs2UO2Cl4 von Matsika, Spiridoula, Pitzer, Russell M

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Assessment of the accuracy of shape-consistent relativistic effective core potentials using multireference spin-orbit configuration interaction singles and doubles calculations of... von Beck, Eric V, Brozell, Scott R, Blaudeau, Jean-Philippe, Burggraf, Larry W, Pitzer, Russell M

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Structure and Spectra of UO2F2 and Its Hydrated Species von Wang, Qi, Pitzer, Russell M

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Spin−Orbit Splittings in Mg+−Neutral Complexes von Matsika, Spiridoula, Pitzer, Russell M

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Effect of electron correlation on the Pa atom energy levels and electron coupling von Mrozik, Michael K., Pitzer, Russell M.

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Automated Operation Minimization of Tensor Contraction Expressions in Electronic Structure Calculations von Hartono, Albert, Sibiryakov, Alexander, Nooijen, Marcel, Baumgartner, Gerald, Bernholdt, David E., Hirata, So, Lam, Chi-Chung, Pitzer, Russell M., Ramanujam, J., Sadayappan, P.

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Identifying Cost-Effective Common Subexpressions to Reduce Operation Count in Tensor Contraction Evaluations von Hartono, Albert, Lu, Qingda, Gao, Xiaoyang, Krishnamoorthy, Sriram, Nooijen, Marcel, Baumgartner, Gerald, Bernholdt, David E., Choppella, Venkatesh, Pitzer, Russell M., Ramanujam, J., Rountev, Atanas, Sadayappan, P.

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Performance Optimization of Tensor Contraction Expressions for Many-Body Methods in Quantum Chemistry von Hartono, Albert, Lu, Qingda, Henretty, Thomas, Krishnamoorthy, Sriram, Zhang, Huaijian, Baumgartner, Gerald, Bernholdt, David E, Nooijen, Marcel, Pitzer, Russell, Ramanujam, J, Sadayappan, P

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The barrier to internal rotation in ethane von Pitzer, Russell M

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Electronic-structure methods for heavy-atom molecules von Pitzer, Russell M, Winter, Nicholas W

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Geometrical structure and energetics of Closs's diradical: 1,3-cyclopentadiyl von Conrad, Morgan P, Pitzer, Russell M, Schaefer, Henry F

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Oxidation of Gas-Phase Protactinium Ions, Pa+ and Pa2+:  Formation and Properties of PaO22+(g), Protactinyl von SANTOS, Marta, PIRES DE MATOS, António, MARçALO, Joaquim, GIBSON, John K., HAIRE, Richard G., TYAGI, Rajni, PITZER, Russell M.

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Jahn-Teller and related effects in the silver trimer. II: Vibrational analysis of the ÃE″2-X̃E′2 electronic transition von Sioutis, Ilias, Stakhursky, Vadim L., Pitzer, Russell M., Miller, Terry A.

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