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chemistry, physical (21) 21
physics, atomic, molecular & chemical (21) 21
anions (8) 8
complex absorbing potentials (6) 6
excitation (6) 6
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electrons (5) 5
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inorganic, organic, physical and analytical chemistry (2) 2
integrals (2) 2
joining (2) 2
lanthanoids (2) 2
luminescence, fluorescence (2) 2
molecular applications (2) 2
molecular resonances (2) 2
multireference coupled-cluster (2) 2
niobium, nb (2) 2
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absorbing potentials (1) 1
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Chemistry of Materials, ISSN 0897-4756, 05/2009, Volume 21, Issue 9, pp. 1955 - 1961
Journal Article
Chemistry of Materials, ISSN 0897-4756, 05/2009, Volume 21, Issue 9, pp. 1955 - 1961
Single crystals of LnKNaNbO5 (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb) were grown out of a reactive high temperature hydroxide melt. The structures were solved by... 
Inorganic Solids and Ceramics | Optical Materials (including Non-Linear Optic, Photonic, and Optoelectronic Materials) | Crystal Growth
Journal Article
ChemInform, ISSN 0931-7597, 08/2009, Volume 40, Issue 32, pp. no - no
ChemInform is a weekly ing Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform of an... 
structure (solids and liquids) | lanthanoids | luminescence, fluorescence (solids and liquids) | niobium, Nb | alkali metals
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 09/2009, Volume 48, Issue 17, pp. 8220 - 8226
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 09/2009, Volume 48, Issue 17, pp. 8220 - 8226
Single crystals of Ln(4)Na(2)K(2)M(2)O(13) (Ln = Nd, Sm, Eu, Gd; M = Nb, Ta) were grown out of a reactive high temperature hydroxide melt. The structures were... 
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 09/2009, Volume 48, Issue 17, pp. 8220 - 8226
Single crystals of Ln 4Na2K2 M 2O13 (Ln = Nd, Sm, Eu, Gd; M = Nb, Ta) were grown out of a reactive high temperature hydroxide melt. The structures were... 
Journal Article
ChemInform, ISSN 0931-7597, 11/2009, Volume 40, Issue 46, pp. no - no
ChemInform is a weekly ing Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform of an... 
tantalum, Ta | structure (solids and liquids) | lanthanoids | luminescence, fluorescence (solids and liquids) | niobium, Nb | alkali metals
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 04/2010, Volume 132, Issue 14, pp. 144110 - 144110-9
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 04/2010, Volume 132, Issue 14, p. 144110
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 07/2012, Volume 137, Issue 4, p. 6171
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 07/2012, Volume 137, Issue 4, p. 44115
The recently presented linear-response function for Mukherjee's multireference coupled-cluster method (Mk-MRCC) [T.-C. Jagau and J. Gauss, J. Chem. Phys. 137,... 
INCOMPLETE MODEL SPACE | PERTURBATION-THEORY | BREAKING | EXCITED ELECTRONIC STATES | CYCLOBUTADIENE | SINGLE | GROUND-STATE | MOLECULAR APPLICATIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | OZONE | FORMALISM | Splitting | Approximation | Mathematical analysis | Ground state | Ozone | Joining | Excitation | Wavefunctions
Journal Article
Chemical Physics, ISSN 0301-0104, 06/2012, Volume 401, pp. 73 - 87
► We present a benchmark study of Mukherjee’s multireference coupled-cluster method. ► We determine molecular equilibrium structures and adiabatic excitation... 
Excitation energies | Equilibrium geometries | Excited states | Multireference coupled-cluster
Journal Article
Chemical Physics, ISSN 0301-0104, 06/2012, Volume 401, pp. 73 - 87
Journal Article
The Journal of Physical Chemistry Letters, ISSN 1948-7185, 09/2014, Volume 5, Issue 17, pp. 3078 - 3085
The recently developed equation-of-motion electron-attachment coupled-cluster singles and doubles (EOM-EA-CCSD) method augmented by a complex absorbing... 
Spectroscopy, Photochemistry, and Excited States | COORDINATE METHOD | STATES | EXCITATION | CI METHOD | MATERIALS SCIENCE, MULTIDISCIPLINARY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | H-2 | TEMPORARY ANIONS | STABILIZATION METHOD | SHAPE RESONANCE | MATRIX-ELEMENTS | ELECTRONIC-STRUCTURE
Journal Article
The Journal of Physical Chemistry Letters, ISSN 1948-7185, 01/2014, Volume 5, Issue 2, pp. 310 - 315
A new strategy of using complex absorbing potentials (CAPs) within electronic structure calculations of metastable electronic states, which are ubiquitous in... 
Spectroscopy, Photochemistry, and Excited States | equation-of-motion coupled-cluster methods | metastable states | resonances | ANIONS | STATES | IMPACT | MATERIALS SCIENCE, MULTIDISCIPLINARY | WIDTHS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | FRAMEWORK | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | HAMILTONIANS | ENERGIES
Journal Article
by Shao, Yihan and Gan, Zhengting and Epifanovsky, Evgeny and Gilbert, Andrew T.B and Wormit, Michael and Kussmann, Joerg and Lange, Adrian W and Behn, Andrew and Deng, Jia and Feng, Xintian and Ghosh, Debashree and Goldey, Matthew and Horn, Paul R and Jacobson, Leif D and Kaliman, Ilya and Khaliullin, Rustam Z and Kuś, Tomasz and Landau, Arie and Liu, Jie and Proynov, Emil I and Rhee, Young Min and Richard, Ryan M and Rohrdanz, Mary A and Steele, Ryan P and Sundstrom, Eric J and Woodcock, H. Lee and Zimmerman, Paul M and Zuev, Dmitry and Albrecht, Ben and Alguire, Ethan and Austin, Brian and Beran, Gregory J. O and Bernard, Yves A and Berquist, Eric and Brandhorst, Kai and Bravaya, Ksenia B and Brown, Shawn T and Casanova, David and Chang, Chun-Min and Chen, Yunqing and Chien, Siu Hung and Closser, Kristina D and Crittenden, Deborah L and Diedenhofen, Michael and DiStasio, Robert A and Do, Hainam and Dutoi, Anthony D and Edgar, Richard G and Fatehi, Shervin and Fusti-Molnar, Laszlo and Ghysels, An and Golubeva-Zadorozhnaya, Anna and Gomes, Joseph and Hanson-Heine, Magnus W.D and Harbach, Philipp H.P and Hauser, Andreas W and Hohenstein, Edward G and Holden, Zachary C and Jagau, Thomas-C and Ji, Hyunjun and Kaduk, Benjamin and Khistyaev, Kirill and Kim, Jaehoon and Kim, Jihan and King, Rollin A and Klunzinger, Phil and Kosenkov, Dmytro and Kowalczyk, Tim and Krauter, Caroline M and Lao, Ka Un and Laurent, Adèle D and Lawler, Keith V and Levchenko, Sergey V and Lin, Ching Yeh and Liu, Fenglai and Livshits, Ester and Lochan, Rohini C and Luenser, Arne and Manohar, Prashant and Manzer, Samuel F and Mao, Shan-Ping and Mardirossian, Narbe and Marenich, Aleksandr V and Maurer, Simon A and Mayhall, Nicholas J and Neuscamman, Eric and Oana, C. Melania and Olivares-Amaya, Roberto and O'Neill, Darragh P and Parkhill, John A and Perrine, Trilisa M and Peverati, Roberto and Prociuk, Alexander and Rehn, Dirk R and Rosta, Edina and Russ, Nicholas J and Sharada, Shaama M and Sharma, Sandeep and Small, David W and Sodt, Alexander and ...
Molecular Physics, ISSN 0026-8976, 01/2015, Volume 113, Issue 2, pp. 184 - 215
Journal Article
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