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Journal Articles

Environmental considerations in ab initio calculations of electronic states of PtCl₄⁻² complexes

Amanda Treviño, Walter C. Ermler

J. Chem. Phys. 158, 024304 (2023)

https://doi.org/10.1063/5.0113097

Published: January 2023

View article titled, Environmental considerations in ab initio calculations of electronic states of PtCl4−2 complexes

Journal Articles

Ab initio study of AmCl + : f–f spectroscopy and chemical binding

Jeffrey L. Tilson, Conrad Naleway, Michael Seth, Ron Shepard, Albert F. Wagner, Walter C. Ermler

J. Chem. Phys. 121, 5661–5675 (2004)

https://doi.org/10.1063/1.1665420

Published: September 2004

View article titled, Ab initio study of AmCl + : f–f spectroscopy and chemical binding

Journal Articles

An ab initio study of the f–f spectroscopy of americium +3

Jeffrey L. Tilson, Conrad Naleway, Michael Seth, Ron Shepard, Albert F. Wagner, Walter C. Ermler

J. Chem. Phys. 116, 5494–5502 (2002)

https://doi.org/10.1063/1.1455620

Published: April 2002

View article titled, An ab initio study of the f–f spectroscopy of americium +3

Journal Articles

An ab initio study of the ionization potentials and f–f spectroscopy of europium atoms and ions

Conrad Naleway, Michael Seth, Ron Shepard, Albert F. Wagner, Jeffrey L. Tilson, Walter C. Ermler, Scott R. Brozell

J. Chem. Phys. 116, 5481–5493 (2002)

https://doi.org/10.1063/1.1455619

Published: April 2002

View article titled, An ab initio study of the ionization potentials and f–f spectroscopy of europium atoms and ions

Journal Articles

Ab initio determination of americium ionization potentials

Jeffrey L. Tilson, Ron Shepard, Conrad Naleway, Albert F. Wagner, Walter C. Ermler

J. Chem. Phys. 112, 2292–2300 (2000)

https://doi.org/10.1063/1.480793

Published: February 2000

View article titled, Ab initio determination of americium ionization potentials

Journal Articles

Erratum: “Ab initio relativistic effective potentials with spin-orbit operators. VII. Am through element 118” [J. Chem. Phys. 106 , 5133 (1997)]

Clinton S. Nash, Bruce E. Bursten, Walter C. Ermler

J. Chem. Phys. 111, 2347 (1999)

https://doi.org/10.1063/1.479506

Published: August 1999

View article titled, Erratum: “Ab initio relativistic effective potentials with spin-orbit operators. VII. Am through element 118” [J. Chem. Phys. 106 , 5133 (1997)]

Includes: Supplementary data

Journal Articles

Ab initio relativistic effective potentials with spin-orbit operators. VII. Am through element 118

Clinton S. Nash, Bruce E. Bursten, Walter C. Ermler

J. Chem. Phys. 106, 5133–5142 (1997)

https://doi.org/10.1063/1.473992

Published: March 1997

View article titled, Ab initio relativistic effective potentials with spin-orbit operators. VII. Am through element 118

Includes: Supplementary data

Journal Articles

Ab initio relativistic effective potentials with spin–orbit operators. V. Ce through Lu

Richard B. Ross, Sanjukta Gayen, Walter C. Ermler

J. Chem. Phys. 100, 8145–8155 (1994)

https://doi.org/10.1063/1.466809

Published: June 1994

View article titled, Ab initio relativistic effective potentials with spin–orbit operators. V. Ce through Lu

Journal Articles

Ab initio study of the electronic spectrum of a Cs₁₁O₃ cluster

Ping Wang, Walter C. Ermler

J. Chem. Phys. 94, 7231–7236 (1991)

https://doi.org/10.1063/1.460206

Published: June 1991

View article titled, Ab initio study of the electronic spectrum of a Cs11O3 cluster

Journal Articles

The ground and excited states of C₆₀M and C₆₀M⁺ (M=O, F, K, Ca, Mn, Cs, Ba, La, Eu, U)

Agnes H. H. Chang, Walter C. Ermler, Russell M. Pitzer

J. Chem. Phys. 94, 5004–5010 (1991)

https://doi.org/10.1063/1.460535

Published: April 1991

View article titled, The ground and excited states of C60M and C60M+ (M=O, F, K, Ca, Mn, Cs, Ba, La, Eu, U)

Journal Articles

Theoretical study of GaAs surface passivation with Se

Sanjukta Gayen, Walter C. Ermler, Claude J. Sandroff

J. Chem. Phys. 94, 729–733 (1991)

https://doi.org/10.1063/1.460341

Published: January 1991

View article titled, Theoretical study of GaAs surface passivation with Se

Journal Articles

The quartic force field of H₂O determined by many‐body methods. II. Effects of triple excitations

Rodney J. Bartlett, Samuel J. Cole, George D. Purvis, Walter C. Ermler, Hsiuchin C. Hsieh, Isaiah Shavitt

J. Chem. Phys. 87, 6579–6591 (1987)

https://doi.org/10.1063/1.453443

Published: December 1987

View article titled, The quartic force field of H2O determined by many‐body methods. II. Effects of triple excitations

Journal Articles

Electronic states and geometries of small Be clusters

Maria M. Marino, Walter C. Ermler

J. Chem. Phys. 86, 6283–6294 (1987)

https://doi.org/10.1063/1.452465

Published: June 1987

View article titled, Electronic states and geometries of small Be clusters

Journal Articles

Ab initio calculations of potential energy curves and transition moments of ¹Σ⁺_g and ¹Σ⁺_u states of N₂

Walter C. Ermler, Joseph P. Clark, Robert S. Mulliken

J. Chem. Phys. 86, 370–375 (1987)

https://doi.org/10.1063/1.452573

Published: January 1987

View article titled, Ab initio calculations of potential energy curves and transition moments of 1Σ+g and 1Σ+u states of N2

Journal Articles

Erratum: Ab initio calculations of potential energy curves of Hg₂ and TlHg [J. Chem. Phys. 81 , 1872 (1984)]

Karen Calvert Celestino, Walter C. Ermler

J. Chem. Phys. 82, 1619 (1985)

https://doi.org/10.1063/1.448982

Published: February 1985

View article titled, Erratum: Ab initio calculations of potential energy curves of Hg2 and TlHg [J. Chem. Phys. 81 , 1872 (1984)]

Journal Articles

Ab initio calculations of potential energy curves of Hg₂ and TlHg

Karen Calvert Celestino, Walter C. Ermler

J. Chem. Phys. 81, 1872–1881 (1984)

https://doi.org/10.1063/1.447860

Published: August 1984

View article titled, Ab initio calculations of potential energy curves of Hg2 and TlHg

Journal Articles

Improved ab initio effective potentials for Ar, Kr, and Xe with applications to their homonuclear dimers

Phillip A. Christiansen, Kenneth S. Pitzer, Yoon S. Lee, John H. Yates, Walter C. Ermler, Nicholas W. Winter

J. Chem. Phys. 75, 5410–5415 (1981)

https://doi.org/10.1063/1.441941

Published: December 1981

View article titled, Improved ab initio effective potentials for Ar, Kr, and Xe with applications to their homonuclear dimers

Journal Articles

Ab initio effective core potentials including relativistic effects. V. SCF calculations with ω–ω coupling including results for Au₂⁺, TlH, PbS, and PbSe

Yoon S. Lee, Walter C. Ermler, Kenneth S. Pitzer

J. Chem. Phys. 73, 360–366 (1980)

https://doi.org/10.1063/1.439881

Published: July 1980

View article titled, Ab initio effective core potentials including relativistic effects. V. SCF calculations with ω–ω coupling including results for Au2+, TlH, PbS, and PbSe

Journal Articles

Ab initio effective core potentials including relativistic effects. III. Ground state Au₂ calculations

Yoon S. Lee, Walter C. Ermler, Kenneth S. Pitzer, A. D. McLean

J. Chem. Phys. 70, 288–292 (1979)

https://doi.org/10.1063/1.437188

Published: January 1979

View article titled, Ab initio effective core potentials including relativistic effects. III. Ground state Au2 calculations

Journal Articles

Ab initio effective core potentials including relativistic effects. IV. Potential energy curves for the ground and several excited states of Au₂

Walter C. Ermler, Yoon S. Lee, Kenneth S. Pitzer

J. Chem. Phys. 70, 293–298 (1979)

https://doi.org/10.1063/1.437189

Published: January 1979

View article titled, Ab initio effective core potentials including relativistic effects. IV. Potential energy curves for the ground and several excited states of Au2

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Environmental considerations in ab initio calculations of electronic states of PtCl₄⁻² complexes

Ab initio study of AmCl + : f–f spectroscopy and chemical binding

An ab initio study of the f–f spectroscopy of americium +3

An ab initio study of the ionization potentials and f–f spectroscopy of europium atoms and ions

Ab initio determination of americium ionization potentials

Erratum: “Ab initio relativistic effective potentials with spin-orbit operators. VII. Am through element 118” [J. Chem. Phys. 106 , 5133 (1997)]

Ab initio relativistic effective potentials with spin-orbit operators. VII. Am through element 118

Ab initio relativistic effective potentials with spin–orbit operators. V. Ce through Lu

Ab initio study of the electronic spectrum of a Cs₁₁O₃ cluster

The ground and excited states of C₆₀M and C₆₀M⁺ (M=O, F, K, Ca, Mn, Cs, Ba, La, Eu, U)

Theoretical study of GaAs surface passivation with Se

The quartic force field of H₂O determined by many‐body methods. II. Effects of triple excitations

Electronic states and geometries of small Be clusters

Ab initio calculations of potential energy curves and transition moments of ¹Σ⁺_g and ¹Σ⁺_u states of N₂

Erratum: Ab initio calculations of potential energy curves of Hg₂ and TlHg [J. Chem. Phys. 81 , 1872 (1984)]

Ab initio calculations of potential energy curves of Hg₂ and TlHg

Improved ab initio effective potentials for Ar, Kr, and Xe with applications to their homonuclear dimers

Ab initio effective core potentials including relativistic effects. V. SCF calculations with ω–ω coupling including results for Au₂⁺, TlH, PbS, and PbSe

Ab initio effective core potentials including relativistic effects. III. Ground state Au₂ calculations

Ab initio effective core potentials including relativistic effects. IV. Potential energy curves for the ground and several excited states of Au₂

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