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	1.	A systematic way for the cost reduction of density fitting methods. [electronic resource] by Kállay, Mihály Producer: 20150723 In: The Journal of chemical physics vol. 141 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Cost reduction of high-order coupled-cluster methods via active-space and orbital transformation techniques. [electronic resource] by Rolik, Zoltán Kállay, Mihály Producer: 20110725 In: The Journal of chemical physics vol. 134 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Reduced-Scaling Approach for Configuration Interaction Singles and Time-Dependent Density Functional Theory Calculations Using Hybrid Functionals. [electronic resource] by Mester, Dávid Kállay, Mihály Producer: 20190312 In: Journal of chemical theory and computation vol. 15 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Calculation of excited-state properties using general coupled-cluster and configuration-interaction models. [electronic resource] by Kállay, Mihály Gauss, Jürgen Producer: 20061205 In: The Journal of chemical physics vol. 121 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	A general-order local coupled-cluster method based on the cluster-in-molecule approach. [electronic resource] by Rolik, Zoltán Kállay, Mihály Producer: 20120110 In: The Journal of chemical physics vol. 135 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Novel strategy to implement active-space coupled-cluster methods. [electronic resource] by Rolik, Zoltán Kállay, Mihály Producer: 20180612 In: The Journal of chemical physics vol. 148 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	A quasiparticle-based multi-reference coupled-cluster method. [electronic resource] by Rolik, Zoltán Kállay, Mihály Producer: 20150514 In: The Journal of chemical physics vol. 141 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Efficient evaluation of the geometrical first derivatives of three-center Coulomb integrals. [electronic resource] by Samu, Gyula Kállay, Mihály Producer: 20181005 In: The Journal of chemical physics vol. 149 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Combined Density Functional and Algebraic-Diagrammatic Construction Approach for Accurate Excitation Energies and Transition Moments. [electronic resource] by Mester, Dávid Kállay, Mihály Publication details: Journal of chemical theory and computation Aug 2019 In: Journal of chemical theory and computation vol. 15 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	Analytic second derivatives for general coupled-cluster and configuration-interaction models. [electronic resource] by Kállay, Mihály Gauss, Jürgen Producer: 20060822 In: The Journal of chemical physics vol. 120 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	Benchmark theoretical study on the dissociation energy of chlorine. [electronic resource] by Csontos, József Kállay, Mihály Producer: 20111018 In: The journal of physical chemistry. A vol. 115 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	Efficient evaluation of three-center Coulomb integrals. [electronic resource] by Samu, Gyula Kállay, Mihály Producer: 20180608 In: The Journal of chemical physics vol. 146 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	Approximate treatment of higher excitations in coupled-cluster theory. [electronic resource] by Kállay, Mihály Gauss, Jürgen Producer: 20070830 In: The Journal of chemical physics vol. 123 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	Approximate treatment of higher excitations in coupled-cluster theory. II. Extension to general single-determinant reference functions and improved approaches for the canonical Hartree-Fock case. [electronic resource] by Kállay, Mihály Gauss, Jürgen Producer: 20090121 In: The Journal of chemical physics vol. 129 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	15.	Optimization of the linear-scaling local natural orbital CCSD(T) method: Redundancy-free triples correction using Laplace transform. [electronic resource] by Nagy, Péter R Kállay, Mihály Producer: 20180608 In: The Journal of chemical physics vol. 146 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	Approaching the Basis Set Limit of CCSD(T) Energies for Large Molecules with Local Natural Orbital Coupled-Cluster Methods. [electronic resource] by Nagy, Péter R Kállay, Mihály Producer: 20191008 In: Journal of chemical theory and computation vol. 15 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	17.	Construction of a Range-Separated Dual-Hybrid Direct Random Phase Approximation. [electronic resource] by Mezei, Pál D Kállay, Mihály Producer: 20191210 In: Journal of chemical theory and computation vol. 15 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	18.	Calculation of electronic g-tensors using coupled cluster theory. [electronic resource] by Gauss, Jürgen Kállay, Mihály Neese, Frank Producer: 20100126 In: The journal of physical chemistry. A vol. 113 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	19.	Gauge-origin independent calculation of magnetizabilities and rotational g tensors at the coupled-cluster level. [electronic resource] by Gauss, Jürgen Ruud, Kenneth Kállay, Mihály Producer: 20071101 In: The Journal of chemical physics vol. 127 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	20.	Inclusion of selected higher excitations involving active orbitals in the state-specific multireference coupled-cluster theory. [electronic resource] by Das, Sanghamitra Kállay, Mihály Mukherjee, Debashis Producer: 20110406 In: The Journal of chemical physics vol. 133 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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Your search returned 73 results.