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Part 3 A Coupled Cluster and Full Configuration Interaction Study of CN and CN - , L. Thøgersen and J. Olsen, Chem. Phys. Lett. 393, 36 (2004)
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PhD Thesis Optimization of Densitie
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Contents Preface ..................
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Summary............................
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List of Publications This thesis in
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Part 1 Improving Self-consistent Fi
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Part 2 Atomic Orbital Based Respons
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Part 3 Benchmarking for Radicals ar
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Part 3 Benchmarking for Radicals le
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Part 3 Benchmarking for Radicals As
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Page 99: Summary The developments in compute
Page 103: Appendix A The Derivatives of the D
Page 106 and 107: Thus, the density element D µν is
Page 109 and 110: References 1 2 3 4 5 6 7 8 9 C. C.
Page 111: 65 T. Helgaker and P. Jørgensen, T
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Page 151 and 152: 38 L. Thøgersen, J. Olsen / Chemic
Page 157: Part 3 Equilibrium Geometry of the
Page 160 and 161: Equilibrium Geometry of Ethynyl Rad
Page 162 and 163: Equilibrium Geometry of Ethynyl Rad
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